admet: A Pathfinder

This is a computer-generated pathfinder created against the Distant Reader study called admet.

Each Distant Reader study carrel is composed of many individual items. Each item is bibliographically described with author, title, date, summary, and keyword values. Below is a list of the items' most signficant keywords as well as lists of the items themselves. Purpusing the content of this pathfinder provides the student, researcher, or scholar with one way to get their heads around the scope of the carrel. The keywords include:

Dmpk; Admet; Solubility; Compounds; Log; Cells; Nanoparticles; Model; Acid; Values; Release; Electrode; Cancer; Data; Surface; Delivery; Detection; Determination; Membrane; Protein; Activity; Cell; Concentration; Human; Analysis; Potential; Time; Dissolution; Water; Properties; Treatment; Method; Brain; Plasma; Samples; Permeability; Development; Skin; Binding; Patients; Disease; Min; Chemical; Absorption; Drugs; Discovery; Metabolism; Wang; Lipid; Nmr; Administration; Pka; Rats; Hepatocytes; Parameters; Growth; Coli; Nanomaterials; Diseases; Compound; Redox; Screening; Chapter; Forum; Https://doi.org/10.5599/admet.1556; Device

Depending on how this pathfinder was created, many of the bibliographic sections will include elaborations on the meaning(s) of the given keywords. These elaborations were generated by feeding the items' summaries to a large langauge model and asking the model to address the question, "What is X?", where "X" is the keyword. The result will be a few sentences of elaboration. Be forewarned. The elaborations are often plausible, but they should not be take as truth. Instead, they should be taken as points for consideration.

• Close relationships between in vitro ADMET and DMPK research in pre-clinical drug discovery by Tam, Kin (2013) - To mitigate the risk of failure due to poor pharmacokinetics, the pharmaceutical industry has developed medium/high throughput in vitro ADMET studies to evaluate potential lead compounds before carrying out http://www.pub.iapchem.org/ojs/index.php/admet/index� mailto:name@address.domain� Kin Tam ADMET & DMPK 1(1) (2013) 1-2 2 pharmacokinetic studies in pre-clinical species. As the chemical series progresses, all available data from pharmacokinetic studies and in vitro ADMET studies could be used for scaling purpose. Keywords: admet; dmpk; drug
• Synthesis of silymarin−selenium nanoparticle conjugate and examination of its biological activity in vitro by Staroverov, Sergey ; Kozlov, Sergey; Fomin, Alexander ; Gabalov, Konstantin; Khanadeev, Vitaliy; Soldatov, Dmitry; Domnitsky, Ivan; Dykman, Lev; Akchurin, Sergey V. ; Guliy, Olga (2021) - Fig. 3 (А) shows that the conjugate increased cell dehydrogenase activity by 3.4 times (p = 0.0003), as compared to Se alone, which increased cellular respiratory activity by 2.5 times (p = 0.0002). The conjugate increased cell dehydrogenase activity by 2.5 times (p = 0.0008) compared to Se alone, which increased cellular respiratory activity by 1.9 times (p = 0.0003). Keywords: 9(4; activity; admet; cancer; cells; conjugate; dmpk; lines; nanoparticles; phage; selenium; senps; sil; use
• Impact of gastrointestinal differences in veterinary species on the oral drug solubility, in vivo dissolution, and formulation of veterinary therapeutics by Martinez, Marilyn N.; Papich, Mark G.; Fahmy, Raafat (2022) - Examples of how this may influence drug oral drug solubility and absorption are discussed later in this review. Although formulation comparisons are typically generated in fasted animals, we know that a prandial state can alter feline and canine oral drug absorption. Keywords: absorption; admet; administered; bile; bioavailability; canine; cats; differences; dmpk; dogs; drug; drug solubility; fed; fluid; food; formulation; gastric; horses; human; influence; oral; papich; solubility; solubilization; species; time; transit; veterinary; vivo
• Silver(I) complexes with phenolic Schiff bases: Synthesis, anti-bacterial evaluation and interaction with biomolecules by Loginova, Natalia; Gvozdev, Maxim ; Osipovich, Nikolai ; Khodosovskaya, Alina ; Koval’chuk-Rabchinskaya, Tatiana ; Ksendzova, Galina ; Kotsikau, Dzmitry ; Evtushenkov, Anatoly (2022) - First, the phenolic ligands in metal complexes can be in different redox states depending on conditions (diamagnetic single- or double-charged anions, neutral ortho-benzoquinones or paramagnetic ortho-benzosemiquinone anion-radicals [45]. Metal complexes with non-innocent ligands. Keywords: 2a–2c; activity; ag(i; agnps; bases; bsa; complexes; compounds; coordination; dmpk; journal; ligands; redox; schiff; silver; silver(i; spectra; synthesis; ν(c
• New therapeutic modalities in drug discovery and development: Insights & opportunities by Kansy, Manfred; Caron, Giulia (2021) - The study of the statistics of new drug registrations over time shows an interesting pattern. Certainly, small molecules still make up the majority of new drug market introductions, and their urgent need in the treatment of newly discovered diseases and the improvement of current therapies is impressively demonstrated during the severe ongoing Covid 19 pandemic. Keywords: admet; development; discovery; dmpk; drug
• Old and modern antibiotic structures with potential for today’s infections by Newman, David (2022) - This short review demonstrates how modern synthetic chemistry, when applied to either modification of current resistant antibiotics such as glycopeptides, or production of novel peptidic agents based on natural product sourced antimicrobial peptides (AMPs) and other potential initial peptide-based agents from genomic searches and baiting techniques, have produced active agents of significant utility. Structure of the glycopeptide antibiotic vancomycin. Keywords: admet; agents; antibiotics; chem; dmpk; gram; group; http://dx.doi.org/10.5599/admet.1272; microbes; molecules; resistance; review; structures; synthesis; synthetic; vancomycin
• Recent advances and challenges in antibacterial drug development; The editorial by Silver, Lynn (2022) - Recent advances and challenges in antibacterial drug development: The editorial doi: http://doi.org/10.5599/admet.1315 89 ADMET & DMPK 10(2) (2022) 89-90; doi: http://dx.doi.org/10.5599/admet.1315 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Recent advances and challenges in antibacterial drug development: Editorial Lynn Silver LL Silver Consulting, New Jersey, United States; silverly@comcast.net Received: March 1, 2022; Revised: March 1, 2022; Published: March 4, 2022 There is a continuing need for new antibacterial drugs to deal with the burgeoning of bacterial pathogens resistant to the existing armamentarium of antibacterial drugs, compromising their effectiveness; furthermore, emerging pathogens are now considered to be a major microbiologic public health threat. Articles in this issue include a brief review of “Recent advances and challenges in antibacterial drug development” by Valeria Gigante et al. from the WHO [5] and a review of “Old and Modern Antibiotic Structures with Potential for Today’s Infections” by David Newman [6]. Keywords: admet; dmpk; drug; new
• Levothyroxine sodium loaded dissolving microneedle arrays for transdermal delivery by Ghazi, Riyam Faisal; Al-Mayahy, Mohammed Hussain (2022) - Figure 2. LT-4 sodium release profile from F8, F9, F10 and F11 MN arrays. As demonstrated in Figures 3 http://dx.doi.org/10.5599/admet.1317 R.F. Ghazi and M.H. Al-Mayahy ADMET & DMPK 10(3) (2022) 213-230 222 and 4, F11 MN arrays showed 100 % penetration in the first and second layers and 50 % in the third layer. Keywords: application; arrays; delivery; dissolving; dmpk; drug; f11; insertion; lt-4; microneedles; mns; polymer; release; skin; sodium; study
• Numerical modelling of the dissolution of drug nanocrystals and its application to industrial product development by Bonhoeffer, Bastian; Kordikowski, Andreas; John, Edgar; Juhnke, Michael (2022) - The numerical model was then applied to selected industrially relevant in vivo and in vitro scenarios to predict in silico the dissolution in a closed system considering the interplay between input parameters: drug nanocrystal particle size distribution, drug amount, dissolution media and related volume, and output parameters: apparent solubility, remaining drug particle size distribution if any and drug fraction dissolved, all time-resolved up to equilibrium condition. In silico dissolution studies were conducted with the numerical model for selected in vivo and in vitro scenarios to simulate the complex interplay between drug nanocrystal particle size distribution, drug amount, dissolution media and volume, and resulting temporal progression of concentration during dissolution up to equilibrium state as well as remaining drug particle size distribution, if any. Keywords: admet; apparent; dissolution; distributions; dmpk; drug; drug nanocrystals; drug particle; figure; http://dx.doi.org/10.5599/admet.1437; journal; layer; media; model; nanocrystals; numerical; particle size; particles; results; size distribution; size x50,3; solubility; surface; table; volume; x50,3
• Role of in vitro two-dimensional (2D) and three-dimensional (3D) cell culture systems for ADME-Tox screening in drug discovery and development: a comprehensive review by Chunduri, Venkatesh; Maddi, Srinivas (2022) - Among them, human-induced PSCs (hiPSCs) are gaining much importance in disease research, generating disease-specific hiPSCs and as a source of continuous supply of human cells that are not often available [100]. Therefore in vitro assays and technologies utilizing human cells are required to overcome these limitations and to align the concept of the 3Rs (replacement, reduction and refinement). Keywords: absorption; adme; assays; biol; caco-2; cell; cell culture; compounds; culture; development; discovery; disease; dmpk; drug; drug discovery; drug metabolism; enzymes; expression; hepatocytes; hipsc; https://doi.org/10.5599/admet.1513; human; lines; liver; metabolism; models; organoids; pluripotent; process; researchers; review; screening; stem; stem cell; studies; systems; tissue; toxicity; transporters; vitro; vivo
• Recent advances in electrochemical sensors and biosensors for monitoring drugs and metabolites in pharmaceutical and biological samples by Laghlimi, Charaf; Moutcine, Abdelaziz; Chtaini, Abdelilah; Isaad, Jalal; Soufi, Adil; Ziat, Younes; Amhamdi, Hassan; Belkhanchi, Hamza (2023) - Second-order data obtained from differential pulse voltammetry: determination of tryptophan at a gold nanoparticles decorated multiwalled carbon nanotube modified glassy carbon electrode. Recent advances in electrochemical sensors and biosensors for monitoring drugs and metabolites in pharmaceutical and biological samples doi: https://doi.org/10.5599/admet.1709 151 ADMET & DMPK 11(2) (2023) 151-173; doi: https://doi.org/10.5599/admet.1709 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Review Recent advances in electrochemical sensors and biosensors for monitoring drugs and metabolites in pharmaceutical and biological samples Charaf Laghlimi*,1, Abdelaziz Moutcine2, Abdelilah Chtaini2, Jalal Isaad1, Adil Soufi1, Younes Ziat3, Hassan Amhamdi4 and Hamza Belkhanchi3 1ERCI2A, FSTH, Abdelmalek Essaadi University, Tetouan, Morocco 2Molecular Electrochemistry and Inorganic Materials Team, Faculty of Science and Technology of Beni Mellal, Sultan Moulay Slimane University, Morocco 3Laboratory of Engineering and Applied Technologies, Higher School of Technology, Sultan Moulay Slimane University, Beni Mellal, Morocco 4Applied Chemistry Team, FSTH, Abdelmalek Essaadi University, Tetouan, Morocco *Corresponding Author: E-mail: charaf.cac.fbs@gmail.com;c.laghlimi@uae.ac.ma; Tel.: Keywords: 11(2; acid; analysis; carbon; cpe; detection; determination; dmpk; dpv; drugs; electrochemical; electrode; gce; graphene; https://doi.org/10.5599/admet.1709; journal; l-1; lod; materials; nanoparticles; oxide; pharmaceutical; rgo; samples; sensitivity; sensors; surface; urine; μmol
• Infections associated with SARS-CoV-2 exploited via nanoformulated photodynamic therapy by Pallavi, Pragya; Harini, Karthick; Elboughdiri, Noureddine; Gowtham, Pemula; Girigoswami, Agnishwar; Girigoswami, Koyeli (2023) - Methylene blue (MB) and Radahlorin 662 Vero E6 cells and SARS- CoV 2 In the presence of MB and Radahlorin, the IC50 of 102 TCID50 of SARS CoV-2 was found as 0.22 µg/ml and 0.33 µg/ml. Mini-review discussing the reliability and efficiency of COVID-19 vaccines. Keywords: admet; antiviral; apdt; coronavirus; cov-2; covid-19; delivery; dmpk; dna; drug; girigoswami; infections; journal; mrna; nanoparticles; oxygen; pdt; protein; research; sars; therapy; treatment; vaccine; virus; viruses
• Enhancement of apixaban's solubility and dissolution rate by inclusion complex (β-cyclodextrin and hydroxypropyl β-cyclo¬dextrin) and computational calculation of their inclusion complexes by Salman, Zainab N.; Al-Ani, Israa; Al Azzam, Khaldun M.; Majeed, Bashar JM.; Abdallah, Hassan H.; Negim, El-Sayed (2023) - Results of robustness of method AP (50 µg mL-1) test showing different conditions used, accuracy and precision. The percent cumulative of AP release of each experiment were calculated and plotted. Keywords: accuracy; admet; apixaban; complex; complexes; dissolution; dmpk; drug; figure; hpβcd; method; prepared; release; results; solubility; solvent; test
• Nanotechnology platforms in Parkinson’s Disease by Adhikary, Rishi Rajat; Sandbhor, Puja; Banerjee, Rinti (2015) - [106] X. Cai, H. Jia, Z. Liu, B. Hou, C. Luo, Z. Feng, W. Li, J. Liu, J. Neurosci. J. 16 (2010) 14439-14446. Keywords: admet; bbb; brain; cells; delivery; detection; diagnosis; disease; dmpk; dopamine; drug; effects; electrodes; imaging; lactoferrin; motor; nanoparticles; nanotechnology; neural; neurons; parkinson; patients; platforms; potential; receptor; treatment; use
• Evaluation of curcumin-loaded chitosan nanoparticles for wound healing activity by Kumbhar, Smita; Khairate, Rupali; Bhatia, Manish; Choudhari, Prafulla; Gaikwad, Vinod (2023) - SEM images of curcumin loaded chitosan nanoparticles Figure 3. Experimental approach: The ionotropic gelation procedure required crosslinking chitosan with a tripolyphos- phate (TPP) crosslinker to generate curcumin nanoparticles encapsulated in chitosan. Keywords: admet; cells; chitosan; chitosan nanoparticles; cm-1; curcumin; dmpk; drug; figure; healing; nanoparticles; potential; release; scratch; skin; wound
• Anti-biofilm, drug delivery and cytotoxicity properties of dendrimers by Ezeh, Christian Kelechi; Dibua, Marie Esther Uju (2024) - Tissue accumulation of Organs like potential reactive oxygen species (ROS) producing dendrimers, wide distribution of phagocytes, and particularly, the slow clearance of dendrimers renders organs like the spleen and liver the main target of dendrimers toxicity. Dendrimers possess mono-dispersed and well-defined structures widely studied and applied in various biomedical fields, such as drug delivery systems, magnetic resonance imaging contrast agents, antiviral, and antitumor and antibacterial agents [13]. Keywords: activity; aeruginosa; agents; antibiofilm; antimicrobial; applications; bacteria; biofilm; cells; delivery; dendrimers; development; dmpk; drug; drug delivery; formation; generation; groups; https://doi.org/10.5599/admet.1917; journal; molecules; pamam; pamam dendrimers; properties; resistance; size; solubility; structure; surface; systems; toxicity
• Anti-inflammatory activities of flavonoid derivates by Ysrafil, Ysrafil; Sapiun, Zulfiayu; Slamet, Nangsih Sulastri; Mohamad, Fihrina; Hartati, Hartati; Damiti, Sukmawati A.; Alexandra, Francisca Diana; Rahman, Sudarman; Masyeni, Sri; Harapan, Harapan; Mamada, Sukamto S.; Emran, Talha Bin; Nainu, Firzan (2023) - Anti-inflammatory effects of flavonoids. Anti-inflammatory effects of luteolin: Keywords: acid; activation; activities; activity; admet; bioavailability; cells; compounds; cox-2; cytokines; delivery; derivates; dmpk; drug; effects; enzymes; flavonoids; human; il-1β; inflammation; inflammatory; international; journal; lee; mapk; medicine; metabolism; nanoparticles; pathway; quercetin; study; tnf; vitro; vivo; wang
• Suggested Improvements for Measurement of Equilibrium Solubility-pH of Ionizable Drugs by Avdeef, Alex (2015) - That is, solubility values could be normalized to a single reference temperature, e.g., 25 °C. Fourteen amino acids were found with solubility values reported for both the DL- and L- forms. Keywords: avdeef; compounds; data; dmpk; drug; equilibrium; et al; log; measurements; method; molecules; pharm; pka; solid; solubility; solution; values; water
• Chemical and Physical Approaches for the Treatment of Alzheimer's Disease by Li, Jing; Zhou, Wei; Wu, Xiaoli; Tam, Kin (2015) - [107] P. B. Watkins, H. J. Zimmerman, M. J. Knapp, S. I. Gracon, K. W. Lewis, Journal of the American Medical Association 271 (1994) 992-998. [24] D. S. Geldmacher, T. Fritsch, M. J. McClendon, G. Landreth, Archives of Neurology 68 (2011) 45-50. Keywords: ad patients; admet; alzheimer; brain; dbs; disease; dmpk; journal; memory; neuroscience; patients; phase; research; secretase; study; tau; treatment; trial
• The interactions of model cationic drug with newly synthesized starch derivatives by Kobryń, Justyna; Zięba, Tomasz; Rzepczyńska, Magdalena; Musial, Witold (2023) - These studies may determine whether similar drugs could adsorb on modified starch. Determination of the potential number of functional groups of modified starches Based on the recipe for preparing individual modified starches, the mass values of substrates attached to native starch (SN), such as acetic anhydride, trimethaphosphate and citric acid, were converted to moles. Keywords: admet; adsorption; blue; dmpk; drug; figure; groups; isotherm; journal; methylene; model; potato; sm1; sm2; sm3; starch; starches; table; values; ° c
• Eco-friendly synthesis of chitosan and its medical application: from chitin extraction to nanoparticle preparation by Pratiwi, Riyona Desvy; El Muttaqien, Sjaikhurrizal; Gustini, Nunik; Difa, Najla Salsabila; Syahputra, Gita; Rosyidah, A’liyatur (2023) - Chitosan and Crosslinked Chitosan Nanoparticles: Synthesis, Characterization and Their Role as Pickering Emulsifiers. Development and Physicochemical, Toxicity and Immunogenicity Assessments of Recombinant Hepatitis B Surface Antigen (RHBsAg) Entrapped in Chitosan and Mannosylated Chitosan Nanoparticles: As a Novel Vaccine Delivery System and Adjuvant. Keywords: acid; admet; applications; carrageenan; chemical; chitin; chitosan; deacetylation; delivery; dmpk; drug; eco; extraction; genipin; journal; macromolecules; nano; nanomedicine; nanoparticles; polymers; preparation; process; production; protein; shrimp; synthesis; tpp; wound
• Nanomaterials as drug delivery agents for overcoming the blood-brain barrier: A comprehensive review by Kulkarni, Mangesh; Patel, Krishi; Patel, Ayush; Patel, Swayamprakash; Desai, Jagruti; Patel, Mehul; Shah, Umang; Patel, Ashish; Solanki, Nilay (2023) - Additionally, the review covers preclinical safety evaluation methods and regulatory considerations for NMs in brain drug delivery, providing a comprehensive understanding of the safety aspects associated with using NMs for BBB drug delivery systems. Overall, transporter-mediated transport has the potential to improve brain drug delivery, but careful thinking and additional study are required to overcome these obstacles and maximise its potential [55]. Keywords: 12(1; administration; agents; bbb; bbb drug; blood; brain; brain barrier; brain delivery; brain drug; cells; cns; delivery agents; delivery systems; dmpk; drug delivery; drugs; effects; efficacy; endothelial; https://doi.org/10.5599/admet.2043; journal; lipid; liposomes; models; nanomaterials; nanomedicine; nanoparticles; nms; nps; permeability; potential; receptor; release; research; safety; study; surface; targeting; toxicity; transport; vitro; zhang
• Metal-organic frameworks: Drug delivery applications and future prospects by Mhettar, Prachi; Kale, Niraj; Pantwalawalkar, Jidnyasa; Nangare, Sopan; Jadhav, Namdeo (2023) - Conventionally, only small https://doi.org/10.5599/admet.2057 P. Mhettar et al. ADMET & DMPK 12(1) (2024) 27-62 44 molecular therapeutics were thought of as being administered via MOF delivery, but now, a large variety of macromolecular therapeutics like nucleic acids and proteins are being administered via MOFs. Photo-Triggered Release of 5-Fluorouracil from a MOF Drug Delivery Vehicle. Keywords: 12(1; acid; admet; administration; applications; approach; atp; cancer; cells; chemical; delivery applications; dmpk; drug; drug delivery; drug loading; drug release; frameworks; https://doi.org/10.5599/admet.2057; insulin; journal; loading; materials; metal; method; mof; mofs; molecules; oral; potential; release; size; stimuli; study; surface; synthesis; system; temperature; therapy; vivo; wang; zhang
• Recent advances in nanomaterial-based drug delivery systems for melanoma therapy: Review paper by Parhi, Rabinarayan; Kaishap, Partha Pratim; Jena, Goutam Kumar (2023) - Additionally, inorganic NPs can directly kill melanoma cells through DNA damage, oxidative stress and cell membrane damage [27]. This method of melanoma treatment employs light, photosensitizer and oxygen to generate reactive oxygen species (ROS), such as singlet oxygen, against melanoma cells [58,59]. Keywords: 12(1; acid; addition; admet; agents; anticancer; apoptosis; cancer; cancer cells; cancer therapy; chemical; delivery; dmpk; drug; drug delivery; effects; gold; growth; https://doi.org/10.5599/admet.2088; journal; liposomes; melanoma; melanoma cancer; melanoma cells; melanoma therapy; nanocomposite; nanomaterials; nanomedicine; nanoparticles; nms; nps; oxide; pdt; polymeric; potential; release; ros; silica; silver; size; skin; stability; surface; systems; targeting; therapy; treatment; tumour; types; vitro; vivo; zhang
• One year in circulation – an exciting journey for ADMET & DMPK by Tam, Kin (2013) - In particular, we have published a range of articles, such as book reviews, original scientific papers, perspectives, opinions and mini reviews covering different areas of interest to the journal. ADMET & DMPK E-mail: kin_tam@iapchem.org It is now almost a year since ADMET & DMPK launched. Keywords: admet; amdet; dmpk
• Understanding yeast shells: structure, properties and applications by Silva de Macêdo, Larissa; Sousa de Pinho, Samara; Duarte Silva , Anna Jéssica; de Moura, Ingrid Andrêssa; Flores Espinoza, Benigno Cristofer; Viana Invenção, Maria da Conceição; Silva Novis, Pedro Vinícius; Turiah Machado da Gama, Marco Antonio; do Nascimento Carvalho, Matheus; Rosa Sales Leal, Lígia; Santos Cruz, Bruna Isabel; Mendonça Alves Bandeira , Beatriz; Pereira Santos, Vanessa Emanuelle; de Freitas, Antonio Carlos (2024) - Some studies suggest that the diameter of yeast cells, ranging from 1 to 10 μm, can lead to local adverse events when administered intramuscularly or intraperitoneally [59]. Bioaccessibility of curcumin encapsulated in yeast cells and yeast cell wall particles. Keywords: cancer; cell; delivery; dmpk; drug; glucan; https://doi.org/10.5599/admet.2118; journal; liu; macrophages; nanoparticles; oral; particles; response; shells; studies; system; vaccine; wall; yeast; yeast cell; zhang
• New insights of propolis nanoformulation and its therapeutic potential in human diseases by Kustiawan, Paula Mariana; Syaifie, Putri Hawa; Siregar, Khalish Arsy Al Khairy; Ibadillah, Delfritama; Mardliyati, Etik (2024) - As valuable insight for the use of propolis in medications, besides its low solubility, bioactive compositions of propolis extract were inconsistent through the different seasons, vegetations and environmental conditions. Nanoformulation products from propolis extract are starting to be developed and marketed. Keywords: 12(1; acid; activity; antioxidant; bee; cancer; cell; chitosan; compounds; disease; dmpk; effects; ethanol; ethanolic; extract; healing; https://doi.org/10.5599/admet.2128; indonesia; journal; kustiawan; lipid; liver; medicine; method; nanofiber; nanoparticles; nanopropolis; phase; potential; properties; propolis; propolis extract; propolis nanoformulation; propolis nanoparticles; research; solution; vitro; water; wound
• Label-free and label-based electrochemical detection of disease biomarker proteins by Lestari, Tias Febriana Hanifa; Irkham, Irkham; Pratomo, Uji; Gaffar, Shabarni; Zakiyyah, Salma Nur; Rahmawati, Isnaini; Topkaya, Seda Nur; Hartati, Yeni Wahyuni (2024) - Early stage screening of breast cancer using electrochemical biomarker detection. Simple and facile carbon dots based electrochemical biosensor for TNF-α targeting in cancer patient’s sample. Keywords: 12(3; anti; antibody; aptamer; bioelectronics; biomarkers; biosensors; breast; cancer; chemistry; detection; disease; disease detection; dmpk; dna; electrochemical; electrode; gold; https://doi.org/10.5599/admet.2162; human; journal; label; method; modified; peptide; protein; protein biomarkers; spce; surface; use
• Advanced nanomaterials for imaging of eye diseases by Nguyen, Van Phuc; Hu, Justin; Zhe, Josh; Ramasamy, Sanjay; Ahmed, Umayr; Paulus, Yannis M. (2024) - Gold nanocages: bioconjugation and their potential use as optical imaging contrast agents. The laser fluence utilized for PAM imaging can be used at safe levels for eyes and still create high-resolution and high-contrast images [10,41]. Keywords: agents; applications; cells; coherence; contrast; diseases; dmpk; eye; gnps; gold; https://doi.org/10.5599/admet.2182; images; imaging; journal; kim; laser; microscopy; nanoparticles; nguyen; oct; oct imaging; pam; pam imaging; photoacoustic; resolution; signal; stem; tomography; vivo; wang; zhang
• Addressing barriers in diffuse intrinsic pontine glioma: the transformative role of lipid nanoparticulate drug delivery by Presswala, Zenab; Aacharya, Sheetal; Shah, Shreeraj (2024) - Due to their promising properties and extensive uses in neurological illnesses, the class of polymeric nanoparticles and lipid nanocarriers such as liposomes, solid lipid nanoparticles, micelles, and others are receiving particular attention from neuroscientists [52]. Role of lipid-based nanoparticles in DIPG In exploring the various types of nanoparticles discussed above, it is noteworthy to highlight the efficacy of lipid-based nanoparticles, such as liposomes, solid lipid nanoparticles and nano lipid carriers, in delivering hydrophilic and lipophilic drugs [56,57]. Keywords: 12(3; acid; barrier; bbb; blood; brain; cancer; carriers; cells; delivery; diffuse; dipg; dmpk; drug; drug delivery; figure; formulation; glioma; https://doi.org/10.5599/admet.2214; journal; lipid; lipid carriers; lipid nanoparticles; liposomes; method; nanoparticles; nlcs; potential; release; size; slns; studies; study; targeting; treatment; tumor; vitro
• Berberine HCl and diacerein loaded dual delivery transferosomes: Formulation and optimization using Box-Behnken design by Singh, Siddharth; Awasthi, Rajendra (2024) - Skin drug delivery using lipid vesicles: A starting guideline for their development. The transdermal flux of optimized formulation was 0.0224 µg cm-2 h-1 (2.24 cm h-1 permeation coefficient) and 0.0462 µg cm-2 h-1 Keywords: 12(3; admet; berberine; berberine hcl; ddt-10; delivery; deoxycholate; diacerein; dmpk; drug; efficiency; entrapment; figure; formulation; journal; particle; phosphatidylcholine; release; singh; size; skin; sodium; time; transferosomes
• Advances in electrochemical biosensors employing carbon-based electrodes for detection of biomarkers in diabetes mellitus by Zuliska, Serly; Maksum, Iman Permana; Einaga, Yasuaki; Kadja, Grandprix Thomreys Marth; Irkham, Irkham (2024) - Electrochemical biosensor methods hold great promise for clinical applications due to their simple instru- mentation, user-friendly operation, rapid measurement time, portability, and relatively lower cost. Advances in electrochemical biosensors employing carbon-based electrodes for detection of biomarkers in diabetes mellitus doi: https://doi.org/10.5599/admet.2361 487 ADMET & DMPK 12(3) (2024) 487-527; doi: https://doi.org/10.5599/admet.2361 Open Keywords: 12(3; applications; biomarkers; biosensor; blood; carbon; detection; diabetes; dmpk; electrodes; figure; ghsa; glucose; hba1c; https://doi.org/10.5599/admet.2361; insulin; levels; potential; range; reaction; sensitivity; surface
• Predicting the acute aquatic toxicity of organic UV filters used in cosmetic formulations by Stergiopoulos, Chrysanthos; Tsopelas, Fotios; Ochsenkühn-Petropoulou, Maria; Valko, Klara (2024) - In coastal areas, the release of UV filter compounds into natural waters is inevitable due to the large amounts of personal care products produced and used. UV filter compounds are found in high concentrations in coastal areas frequented by tourists, posing a significant risk to aquatic life. Keywords: acute; admet; binding; chiiam; compounds; dmpk; epi; equation; figure; filters; fish; log; models; phospholipid; predictions; table; toxicity; uv filters; values
• Optimizing gefitinib nanoliposomes by Box-Behnken design and coating with chitosan: A sequential approach for enhanced drug delivery by Rohilla, Seema; Awasthi, Rajendra; Rohilla, Ankur; Singh, Sachin Kumar; Chellappan, Dinesh Kumar; Dua, Kamal; Dureja, Harish (2024) - This may be attributed to the small particle size of prepared nanoliposomes (93.2 nm), which provides a larger effective surface area for drug release and a short diffusion distance for the rapid release of the entrapped drug. The elevated correlation coefficients in first-order release kinetics for both uncoated and surface-adorned nanoliposomes, such as 0.981 and 0.993; 0.905 and 0.965; and 0.958 and 0.959 in simulated gastrointestinal fluid (acetate buffer pH 4.0) and simulated intestinal pH 6.8, demonstrated that drug release followed first-order release kinetics. Keywords: 12(4; cancer; cells; chitosan; coating; design; dmpk; drug; efficiency; encapsulation; formulation; gefitinib; https://doi.org/10.5599/admet.2366; journal; lung; model; nanoliposomes; particle; release; size; stability; surface; value; ° c
• Enhancing hair regeneration: Recent progress in tailoring nano-structured lipid carriers through surface modification strategies by Atrooz, Omar M.; Reihani, Nasim; Mozafari, M. R.; Salawi, Ahmad A.; Taghavi, Elham (2024) - Conclusions The potential to revolutionize hair growth treatment lies in the surface modification of NLCs, which can enhance the targeted transport of therapeutic medicines to hair follicles. To summarize, the alteration of the surface of NLCs shows potential for revolutionizing hair growth treatment by providing precise and effective transportation of medicinal substances to hair follicles. Keywords: 12(3; admet; agents; alopecia; carriers; cells; delivery; dmpk; drug; drug delivery; effects; efficacy; factors; formulations; hair; hair follicles; hair growth; hair loss; hair regeneration; https://doi.org/10.5599/admet.2376; journal; lipid; modification; nanoparticles; nlcs; pharmaceutics; potential; regeneration; release; review; strategies; surface; surface modification; targeting; techniques; therapy; treatment
• The biological applications of IPN hydrogels by León-Campos, Maria I.; Mendoza, Juan J.; Aguayo-Morales, Hilda; Cobos-Puc, Luis E.; Cabrera-Munguía, Denis A.; Claudio-Rizo, Jesús A. (2024) - This bioactivity enhances the ability of IPN hydrogel to guide and accelerate the regeneration of hard tissues; iv) Porosity and permeability: The porous structure of IPN hydrogels can be tailored to resemble the natural extracellular matrix of hard tissues. A notable example of IPN hydrogel application is the study conducted by Puertas Bartolome and colleagues. Keywords: 12(4; ability; alginate; applications; bioinks; bioprinting; bone; cell; chemical; collagen; conditions; covalent; crosslinking; delivery; dmpk; drug; drug release; engineering; formation; growth; https://doi.org/10.5599/admet.2398; interactions; ipn hydrogels; materials; medicine; network; network hydrogels; polymer; properties; regeneration; release; strength; structure; support; synthesis; systems; tissue; tissue engineering
• Spray-dried cyclophosphamide-loaded polyhydroxyalkanoate microparticles: design and characterization: Original scientific article by Lipaikin, Sergei; Dorokhin, Aleksei; Ryltseva, Galina; Oberenko, Andrey; Kiselev, Evgeniy; Shabanov, Alexander; Volova, Tatiana; Shishatskaya, Ekaterina (2024) - At the initial stage of CP release, a slight burst effect caused by the desorption of cyclophosphamide from the surface of microparticles is observed. It was found that the loading of CP into PHBV microparticles leads to changes in the physical characteristics of the CP-containing formulation compared to the blank microparticles: the decrease of melting points and degradation temperature as well as increase of microparticles diameter, glass transition temperature and cold crystallization temperature were noted. Keywords: cancer; cells; characterization; cyclophosphamide; delivery; dmpk; drug; encapsulation; figure; ftir; https://doi.org/10.5599/admet.2434; journal; microparticles; mps; phbv; polymer; release; shishatskaya; spray
• Flavonoids from Clerodendrum genus and their biological activities : Review article by Mamuaja, Meiske Naomi; Herlina, Tati; Rumampuk, Rymond Jusuf; Maksum, Iman Permana; Rukayadi, Yaya (2024) - They are evergreen shrubs, lianas, https://doi.org/10.5599/admet.2442 https://doi.org/10.5599/admet.2442 http://www.pub.iapchem.org/ojs/index.php/admet/index mailto:meiske21001@mail.unpad.ac.id mailto:iman.permana@unpad.ac http://creativecommons.org/licenses/by/4.0/ M. N. Mamuaja et al. https://doi.org/10.5599/admet.2442 M. N. Mamuaja et al. Keywords: acacetin; activities; activity; akt; antidiabetic; antioxidant; apigenin; apoptosis; cancer; cells; chen; clerodendrum; diabetic; dmpk; effect; et al; extract; flavonoid; formation; hesperetin; hispidulin; https://doi.org/10.5599/admet.2442; human; inhibition; international; journal; kim; leaves; liu; luteolin; medicine; mice; natural; pathway; pharmacology; plant; potential; protein; quercetin; rats; research; review; scutellarin; shows; studies; study; tyrosinase; vitro; vivo; wang; zhang
• Special issue devoted to the IAPC-10 Meeting: Joint World Conferences on Physico-Chemical Methods in Drug Discovery and Development and on ADMET and DMPK by Verbić, Tatjana; Mandić, Zoran (2024) - Diego Garcia Jimenez et al. report the full physicochemical characterization of three PROTACs in clinical trials; the paper focuses on the molecular properties essential to drive oral bioavailability within the beyond rule of five (bRo5) drug framework. https://doi.org/10.5599/admet.2541 https://doi.org/10.5599/admet.2541 http://www.pub.iapchem.org/ojs/index.php/admet/index mailto:tatjanad@chem.bg.ac.rs mailto:zmandic@fkit.hr T. Verbić and Z. Mandić ADMET & DMPK 12(5) (2024) 703-704 704 Shan Lu et al. discuss physiologically based pharmacokinetics (PBPK) modelling, coupled with pharmaco- dynamics (PD) simulations, to explore possible factors determining drug nanocrystals' biodistribution and treatment efficacy. Keywords: admet; dmpk; drug
• Natural serine proteases and their applications in combating amyloid formation: Review article by Metkar, Sanjay; Udayakumar, Saranya; Girigoswami, Agnishwar; Girigoswami, Koyeli (2024) - Earthworm protease enzymes (EPE) and fibrinolytic enzymes (EFE) are some names given to LK Moreover, if these natural inhibitors successfully complete clinical trials, outcomes for those suffering from amyloidosis can be improved, and serine protease enzymes may be used to improve quality of life in the early stages of the disease. Keywords: activity; alzheimer; amyloid; blood; degradation; disease; dmpk; earthworm; efe; effect; enzyme; fibrinolytic; formation; https://doi.org/10.5599/admet.2551; inflammation; journal; lumbrokinase; metkar; nattokinase; potential; prion; proteases; protein; research; serine; serratiopeptidase; study; wang
• Natural polymer derivative-based pH-responsive nanoformulations with entrapped diketo-tautomers of 5-fluorouracil for enhanced cancer therapy: Original scientific article by Thirumalai, Anbazhagan; Girigoswami, Koyeli; Harini, Karthick; Kiran, Venkatakrishnan; Durgadevi, Pazhani; Girigoswami, Agnishwar (2025) - Manivannan et al. encapsulated 5-FU and docetaxel in chitosan nanoparticles and showed that the combined effect of these drugs within the nanoparticles was significantly greater in cancer cells compared to the effect of each drug alone The increased release of 5-FU in an acidic environment makes it particularly effective for targeting cancer cells, which are often more acidic than normal cells. Keywords: admet; alginate; anticancer; cancer; cells; delivery; dmpk; drug; encapsulation; figure; fluorouracil; girigoswami; nanoparticles; osa; osanps; release; sodium
• Microwave coprocessing of modafinil with Gelucire®: Thermal and compression characteristics: Original scientific article by Omari, Derar; Sallam, Assayed; Rashid, Iyad; M. Assaf, Shereen; Akayleh, Faisal; Al-Sou′od, Khaldoun A. (2025) - These changes and variations in Gelucire® content within the modafinil-Gelucire® complex were concurrently considered. DSC thermograms of modafinil-Gelucire® complex samples subjected to microwave processing at different concentrations of Gelucire® contents. Keywords: admet; analysis; complex; compression; content; crystallinity; dmpk; drug; figure; gelucire ®; https://doi.org/10.5599/admet.2569; journal; melt; melting; microwave; modafinil; pharmaceutical; powder; processing; samples; table; values
• Solubility Temperature Dependence Predicted from 2D Structure by Avdeef, Alex (2015) - [9] G. Ismailos, C. Reppas, J. Dressman, P. Macheras, J. Pharm. [10] N. Sun, A. Avdeef, J. Pharm. Keywords: acid; admet; anal; avdeef; chem; data; dependence; descriptors; dmpk; doi; drug; eng; enthalpy; int; j. chem; j. pharm; lab; log; molecules; profiles; res; sci; set; solubility; solution; subst; temperature; values; δhsol
• Management of intraocular pressure and inflammation using febuxostat film: in vitro - in vivo correlation: Original scientific article by Das, Mouli; Habibullah , Sk; Das, Tanisha; Swain, Rakesh; Mallick, Subrata (2025) - In vitro drug dissolution of FBX film formulation The mechanism of FBX release from the film formulation was estimated using dissolution kinetic models (Higuchi, Korsmeyer-Pappas, and Pappas-Sahlin models). FBX film formulation could be used to manage IOP and inflammation associated with ocular tophaceous gout. Keywords: 13(2; dmpk; drug; eye; fbx; febuxostat; figure; film; formulation; hpmc; https://doi.org/10.5599/admet.2601; inflammation; pressure; release; study; swelling
• Often neglected steps in transforming drug solubility from single measurement in pure water to physiologically-appropriate solubility-pH: Commentary by Avdeef, Alex (2025) - Often neglected steps in transforming drug solubility from single measurement in pure water to physiologically-appropriate solubility-pH doi: https://doi.org/10.5599/admet.2626 1 ADMET & DMPK 13(1) (2025) 2626; doi: https://doi.org/10.5599/admet.2626 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Commentary Often neglected steps in transforming drug solubility from single measurement in pure water to physiologically-appropriate solubility-pH Alex Avdeef in-ADME Research, New York City, NY 10128, USA E-mail: alex@in-ADME.com; Tel: +1 6466785713 A quantitative structure-property relationship for predicting drug solubility in PEG 400/water cosolvent systems. Keywords: acid; activity; admet; avdeef; dmpk; drug; iref; log; phw; pka; ref; solubility; strength; values; water
• Chitosan-modified ceftazidime loaded polyhydroxyalkanoates microparticles: preparation, characterization and antibacterial evaluation in vitro: Original scientific article by Murueva, Anastasiya; Zhila, Natalia; Dudaev, Alexey; Shishatskaya, Ekaterina; Volova, Tatiana (2025) - In this work, the primary assessment of the hemolytic activity of P(3HB-3HV-3HHх) and P(3HB-3HV-3HHх)- CS microparticles was performed depending on microparticles concentration and the chitosan content during interaction with human blood cells in vitro. Hemolytic activities (percentage of hemolysis) of P(3HB-3HV-3HHх) and chitosan-modified P(3HB-3HV-3HHх) microparticles for 2 (a) and 24 h (b) as a function of microparticles concentrations; Photograph of the supernatant for measuring optical density after contact with the microparticles for 24 h (с). Keywords: 13(2; acid; activity; admet; blood; ceftazidime; cells; chitosan; concentration; content; delivery; dmpk; drug; effect; figure; https://doi.org/10.5599/admet.2645; microparticles; p(3hb-3hv-3hhх; phas; polymer; release; surface; table
• Curcumin-loaded nanoemulsion for acute lung injury treatment via nebulization: Formulation, optimization and in vivo studies: Original scientific article by Singh, Prashant Anilkumar; Awasthi, Rajendra; Pandey, Ramendra Pati; Kar, Santosh K. (2025) - Results of nanoparticles tracking analysis of optimized nanoemulsion formulation (CNE7) Zeta potential The zeta potential of the optimized curcumin-loaded nanoemulsion (CNE7) was found to be -1.7 ± 0.6 mV, which indicated a slightly negative or near-neutral charge (Figure 7). Comparative images of harvested lungs from different experimental groups (control, negative control, positive control, vehicle and optimized formulation group CNE7) Figure 11. Keywords: 13(2; acute; admet; ali; analysis; control; curcumin; dmpk; drug; effect; figure; formulation; group; https://doi.org/10.5599/admet.2661; injury; lung; nanoemulsion; oil; pdi; sonication; treatment; tween; variables
• Insight into antistaphylococcal effect of chlorinated 1-hydroxy-naphthalene-2-carboxanilides: Original scientific article by Vrablova, Lucia; Gonec, Tomas; Majerova, Petra; Kovac, Andrej; Kos, Dominika; Kollar, Peter; Kos, Jiri; Cizek, Alois; Kauerova, Tereza; Jampilek, Josef (2025) - Suspected colonies were confirmed by PCR; a 108bp fragment specific to S. aureus was detected [56]. MTT assay Compounds were prepared as previously stated and diluted in CaMH broth for S. aureus to achieve the desired final concentrations. Keywords: 13(2; activity; agent; aureus; carboxanilides; cell; chemistry; compounds; control; dmpk; drug; effect; figure; https://doi.org/10.5599/admet.2684; hydroxynaphthalene-2; inhibition; log; mrsa; protein; resistance; values
• Effect of surfactants and polymer composition on the characteristics of polyhydroxyalkanoate nanoparticles: Original scientific article by Dorokhin, Aleksei; Lipaikin, Sergei; Ryltseva, Galina; Shabanov, Alexander; Sapozhnikova, Kristina; Volova, Tatiana; Kachin, Sergei; Shishatskaya, Ekaterina (2025) - Preparation of nanoparticles P3HB and P3HBV nanoparticles were prepared using the single emulsion solvent evaporation technique [18,55]. Preparation of PDLLA and PLGA nanoparticles stabilized with PVA and a PVA-SDS mixture: Studies on particle size, degradation and drug release. Keywords: activity; admet; cancer; cells; characteristics; cytotoxicity; delivery; dmpk; drug; formation; journal; nanoparticles; nps; p3hb; plga; potential; preparation; pva31; pva85; sdc; sds; surfactants; water
• Metabolic insights into the warfarin-mango interaction: A pilot study integrating clinical observations and metabolomics: Original scientific article by Rattanasuwan, Piyapat; Lertpongpipat, Prem; Hiranchatchawal, Natthapat; Wannaphueak, Konwalin; Pounghom, Sakonwan; Thongkhao-on, Parinya; Suwanthai, Matchuda; Sompradee, Duangthip; Saithongdee, Auiporn; Jaikang, Churdsak; Tajai, Preechaya (2025) - Male 5 (33.33) Female 10 (66.67) *Control; **Wilcoxon signed-rank test (p < 0.0001) https://doi.org/10.5599/admet.2740 P. Rattanasuwan et al. ADMET & DMPK 13(3) (2025) 2740 6 Determination of differences in plasma metabolites between warfarin interaction and control using 1H-NMR The 500 MHz ¹H-NMR spectrum of the plasma sample obtained from patient 1 is illustrated in Figure 2. The sparse partial least squares discriminant analysis (sPLS-DA) scores plot (Figure S1A) demonstrates a notable separation between the two groups: warfarin interaction (group 1, shown in red) and control (group 2, shown in green), indicating a distinct difference in their metabolic profiles. Keywords: analysis; biosynthesis; control; dmpk; enrichment; figure; glycerol; https://doi.org/10.5599/admet.2740; inr; interaction; mango; mango interaction; metabolic; metabolites; nmr; pathways; patients; phosphate; platelet; study; warfarin
• An Overall Comparison of Small Molecules and Large Biologics in ADME Testing by Wan, Hong (2016) - General non-clinical safety evaluations of biologics in particular for ADC drugs are outlined including drug-drug interaction (DDI) and metabolite/catabolite assessments. Hence, drug metabolite and DDI should be concerned for ADC drugs, but maybe not for mAbs wherein the DDI risk is presumably low or not as prominent as small molecules. Keywords: adc; adcs; adme; antibody; bioanalysis; biologics; data; development; dmpk; drug; elisa; human; linker; lms; mabs; method; plasma; safety; sms; studies; testing; toxicity; vivo
• Leveraging machine learning models in evaluating ADMET properties for drug discovery and development: Review article by Venkataraman, Magesh ; Chand Rao, Gopi ; Madavareddi , Jeevan Karthik ; Maddi, Srinivas Rao (2026) - Commonly used AI/ML algorithms for developing ADMET prediction models Figure 3. Leveraging machine learning models in evaluating ADMET properties for drug discovery and development doi: https://doi.org/10.5599/admet.2772 1 ADMET & DMPK 13(3) (2025) 2772; doi: https://doi.org/10.5599/admet.2772 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Review Leveraging machine learning models in evaluating ADMET properties for drug discovery and development Magesh Venkataraman, Gopi Chand Rao, Jeevan Karthik Madavareddi and Srinivas Rao Maddi* Department of Pharmacology, Acubiosys Private Limited, Hyderabad, Telangana, India Corresponding Author: E-mail: *srinivasm@acubiosys.com Received: April 4, 2025; Revised: June 6, 2025; Published: June 7, 2025 Abstract Background and purpose: The evaluation of ADMET properties remains a critical bottleneck in drug discovery and development, contributing significantly to the high attrition rate of drug candidates. Keywords: absorption; accuracy; admet; admet prediction; admet properties; applications; approaches; chemical; clearance; compounds; data; datasets; descriptors; development; distribution; dmpk; drug; drug development; drug discovery; feature; https://doi.org/10.5599/admet.2772; information; intelligence; journal; learning; learning models; machine learning; metabolism; methods; modeling; models; networks; performance; potential; prediction; properties; research; selection; set; studies; techniques; toxicity; wang
• Fabrication and optimization of freeze-dried isoniazid-loaded poly-ε-caprolactone nanoparticles: Original scientific article by Kole, Eknath; Pawara, Yuvraj ; Chaudhari, Atul ; Chatterjee, Aniruddha; Naik, Jitendra B. (2025) - Solid-state analysis of INH-loaded PCL nanoparticles: (A) Fourier-transform infrared (FTIR) spectra, (B) differential scanning calorimetry (DSC) thermograms, and (C) X-ray diffraction (XRD) patterns Differential scanning calorimetry Figure 3B provides valuable information on the thermal behaviour and changes in the crystallinity of INH- loaded PCL nanoparticles compared to pure INH and individual excipients. This study introduced a novel approach by combining microreactor-assisted nanoprecipitation with freeze-drying to fabricate and optimize isoniazid (INH)-loaded PCL nanoparticles (NPs). Keywords: admet; cm-¹; delivery; design; dmpk; drug; formulation; freeze; inh; isoniazid; kole; nanoparticles; pcl; pcl nanoparticles; release; size; surface; variables
• Nano-modified biosensors for detection of pathogenic diseases: The prospect of smart, multiplex and point-of-care testing: Review article by Ibrahim, Abdullahi Umar; Pwavodi, Pwadubashiyi Coston ; Ozsoz, Mehmet; Duwa, Basil Birth; Irkham, Irkam; Hartati, Yeni Wahyuni (2025) - The initial search for articles used in this review was based on Google Scholar search using keywords such as biosensors, nanotechnology, nano-biosensors, nano-modified sensors, detection of pathogenic disease (specific to a pathogen) using nano-enhanced biosensors, electrochemical- based biosensors for detection of pathogenic disease, POC-based biosensors, multiplex detection, smart biosensors, etc. Biosensors for infectious disease detection have been developed to identify or recognize pathogen-related biomolecules or components using highly sensitive and specific recognition elements such as NA (DNA, RNA, aptamers), antigens and antibodies, enzymes, whole cells or cell organelles. Keywords: aptasensor; bacteria; biosensing; biosensors; cfu; cov-2; detection; development; diseases; dmpk; electrochemical; et al; graphene; https://doi.org/10.5599/admet.2799; immunosensor; lod; ml-1; multiplex; nano; nanobiosensors; nanotechnology; poct; review; samples; sars; sensitivity; target; testing; virus
• Topical composite hydrogel incorporating human amniotic membrane and spidroin for the treatment of chronic wounds in diabetes mellitus: Original scientific article by Pakpahan, Suyarta Efrida; Barlian, Anggraini; Wibowo, Arie; Wibowo, Indra (2025) - Updates in diabetic wound healing, inflammation, and scarring. Macroscopic progress of wound healing was monitored, and histological analysis was performed to assess reepithelialization, inflammatory response, and collagen deposition. Keywords: 13(5; admet; cells; closure; collagen; composite; day; diabetes; diabetic; dm group; dmpk; figure; group; growth; hamd; healing; https://doi.org/10.5599/admet.2822; hydrogel; increase; membrane; results; skin; slides; spidroin; staining; tgf; tissue; treatment; wound
• Electrochemical sensors for anticancer drugs used in the targeted therapy of chronic myeloid leukaemia: Review article by Dodevska, Totka (2025) - Electrochemical sensors based on ionic liquids Another trend regarding electrode modifiers for electrochemical sensors concerns the combination of nanocomposites and ionic liquids (ILs) Four research groups reported IMA electrochemical sensors based on CuMOF (Cu3(BTC)2 (BTC = 1,3,5- -benzenetricarboxylate), square-pore MOF also known as HKUST-1 Keywords: admet; analysis; anticancer; carbon; chemistry; chronic; cml; das; detection; determination; dmpk; dpv; drug; electrode; gce; graphene; https://doi.org/10.5599/admet.2825; imatinib; journal; leukemia; materials; metal; monitoring; nil; results; samples; sensing; sensors; serum; tkis; treatment; urine
• Epithelial-mesenchymal dynamics in cancer: Role of signalling pathways, stromal interactions and natural therapies: Review article by Khan, Iram ; Behera, Anindita ; Babu, Kamesh R.; Rehman, Faisal ; Rehan, Farah; Gupta, Shraddha Manish; Singh, Siddharth (2025) - ADMET & DMPK 13(5) (2025) 2836 Natural molecules for EMT treatment doi: http://dx.doi.org/10.5599/admet.2836 7 Figure 2. p53 and RAS participate in the regulation of cancer cell EMT [65] (Creative Commons Attribution CC BY 3.0) Because Wnt, Notch, and Hedgehog signalling pathways, and many others, were shared by EMT cells and CSCs. Keywords: 13(5; cancer; cancer cells; cells; dmpk; drug; emt; epithelial; expression; inhibition; invasion; journal; lung; marine; mesenchymal; mesenchymal transition; metastasis; migration; molecules; p53; pathways; progression; resistance; role; signalling; transition; tumour; wang
• Exploring hepatic stellate cell-driven fibrosis: therapeutic advances and future perspectives: Review article by Singh, Alka; Akhtar, Ansab; Shukla, Prashant (2025) - Abstract Background and purpose: Liver fibrosis, a progressive liver disease arising from viral or metabolic causes, poses a major global health challenge due to its potential progression to cirrhosis and hepatocellular carcinoma. Due to the complex aetiology and epidemiology of liver fibrosis, most therapies fail in the clinic, and very few drugs have been approved by the US FDA. Keywords: acid; activation; advances; cells; chen; delivery; disease; dmpk; drug; hepatic; hepatology; hscs; https://doi.org/10.5599/admet.2874; inflammation; journal; liposomes; liu; liver disease; liver fibrosis; nanoparticles; pathway; receptor; role; targeting; tgf; therapy; wang; zhang
• New xanthone and chemical constituents from the aerial parts of Mallotus glomerulatus and their cytotoxicity in MCF-7 and MDA-MB-231 breast cancer cells: Original scientific article by Chabang, Napasorn; Wongwitayasombat, Chanikarn; Tuchinda, Patoomratana; Munyoo, Bamroong; Kangwanrangsan, Niwat; Hongeng, Suradej; Nutho, Bodee; Charoensutthivarakul, Sitthivut; Kanjanasirirat, Phongthon (2025) - New xanthone and chemical constituents from the aerial parts of Mallotus glomerulatus and their cytotoxicity in MCF-7 and MDA-MB-231 breast cancer cells doi: https://dx.doi.org/10.5599/admet.2901 1 ADMET & DMPK 13(5) (2025) 2901; doi: https://doi.org/10.5599/admet.2901 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.pH-p/admet/index Original scientific paper New xanthone and chemical constituents from the aerial parts of Mallotus glomerulatus and their cytotoxicity in MCF-7 and MDA- MB-231 breast cancer cells Napason Chabang1, Chanikarn Wongwitayasombat2, Patoomratana Tuchinda3, Bamroong Munyoo3, Niwat Kangwanrangsan4, Suradej Hongeng5, Bodee Nutho6, Sitthivut Charoensutthivarakul1,6,7 and Phongthon Kanjanasirirat4,* 1School of Bioinnovation and Bio-based Product Intelligence, Faculty of Science, Mahidol University, Bangkok, Thailand 2Biomedical Science Program, Faculty of Science, Mahidol University, Bangkok, Thailand 3Excellent Center for Drug Discovery, Faculty of Science, Mahidol University, Bangkok, Thailand 4Department of Pathobiology, Faculty of Science, Mahidol University, Bangkok, Thailand 5Department of Pediatrics, Faculty of Medicine Ramathibodi Hospital, Mahidol University, Bangkok, Thailand 6Department of Pharmacology, Faculty of Science, Mahidol University, Bangkok, Thailand 7Center for Neuroscience, Faculty of Science, Mahidol University, Bangkok, Thailand *Corresponding Author: E-mail: phongthon.kan@mahidol.ac.th, Tel.: Two M. glomerulatus-derived compounds are effective against breast cancer cells MCF-7 and MDA-MB-231. Keywords: 13(5; activity; admet; atpase; breast; breast cancer; cancer; cancer cells; cells; chemical; cleistanthin; compound; cytotoxicity; dmpk; docking; fraction; glomerulatus; https://doi.org/10.5599/admet.2901; journal; mallotus; mb-231; mcf-7; mda; new; potential; thailand; xanthone
• Lipid functionalized silver-coated carbon dot-capped manganese ferrite as drug-free core-shell nanoparticles for multimodal imaging and therapy: Original scientific article by Thirumalai, Anbazhagan; Durgadevi, Pazhani ; Kiran, Venkatakrishnan ; Girigoswami, Koyeli ; Prabhu, Alex Daniel ; Girigoswami, Agnishwar (2025) - The applications of Ag NPs in CT imaging contrast agents, along with other biomedical uses, have been widely studied. All the observed FTIR bands support the synthesis of MnFe@C NPs. Keywords: 13(5; admet; ag@mnfe@c; agents; applications; cancer; carbon; cells; contrast; dmpk; ferrite; figure; fluorescence; girigoswami; imaging; lipid; magnetic; manganese; nanoparticles; nps; potential; silver; surface
• Equilibrium solubility measurement of ionizable drugs – consensus recommendations for improving data quality by Avdeef, Alex; Fuguet, Elisabet; Llinàs, Antonio; Ràfols, Clara; Bosch, Elisabeth; Völgyi, Gergely; Verbić, Tatjana; Boldyreva, Elena; Takács-Novák, Krisztina (2016) - It is interesting to note in the haloperidol case study that the order of drug salt solubility (pH 2-4) is: mesylate (23 mg/mL) > chloride (5 mg/mL) > phosphate (3 mg/mL). This may be especially important when salt solubility measurements are performed. Keywords: acid; admet; analysis; avdeef; base; buffer; case; compound; concentration; data; dmpk; drug; equilibration; equilibrium; figure; filter; form; high; logs; measurement; method; pharm; pka; point; quality; recommendations; salt; salt solubility; sample; solid; solubility; solution; state; strength; time; use; values; water
• Hypotension and antiphlogistic potential of empagliflozin ocular film: swelling and release kinetics: Original scientific paper by Das, Tanisha ; Mallick, Subrata; Parida, Sourajit; Das , Mouli ; Swain , Rakesh ; Habibullah, Sk (2025) - The stability study concluded that ocular film formulations demonstrated good stability as evident from Figures S3 and S4. Following the Institutional Animal Ethics Committee (IAEC) protocol, the animals were allocated into 3 groups to study the effect of EMP ocular film loaded with SiO2 (EMA3) and without SiO2 (EMA0) on the normal intraocular pressure (IOP), respectively. Keywords: 00(0; admet; dmpk; drug; drug release; ema0; ema3; empagliflozin; figure; film; formulation; peppas; pressure; release; sio2; study; swelling; time; vitro
• Intranasal Carvacrol Nanoemulsion: Stroke Imaging and Neuroprotective Study: Original scientific article by Mahajan, Hitendra; Girnar, Ghanshyam (2025) - Pharmacokinetic parameters Compartment Pharmacokinetic parameters MCNE IV MCNE IN Plasma Cmax / ng mL-1 74.44±1.03 8.28±0.50 Tmax / h 00±0.00 0.25±0.01 T½ / TEM confirmed nanoscale uniformity across both CNE and MCNE formulations. Keywords: 00(0; admet; administration; analysis; brain; carvacrol; delivery; dmpk; drug; figure; formulation; group; https://doi.org/10.5599/admet.2967; intranasal; journal; mahajan; mcne; ml-1; nanoemulsion; nasal; size; stability; stroke; studies; study
• Advancing through the blood-brain barrier: mechanisms, challenges and drug delivery strategies: Review paper by Vargas, Ronny; Martinez-Martinez, Noelia; Lizano-Barrantes, Catalina; Pacheco-Molina, Jorge Andrés; García-Montoya, Encarna; Pérez-Lozano, María Pilar; Suñe-Negre, Josep María; Suñe, Carlos; Suñe-Pou, Marc (2025) - In light of these advancements and ongoing challenges, the field of BBB drug delivery remains a critical frontier in biomedical research. Blood-brain barrier shuttle peptides: an emerging paradigm for brain delivery. Keywords: 13(5; admet; bbb; blood; brain; brain barrier; brain delivery; cells; challenges; cns; delivery; development; dmpk; drug; drug delivery; figure; https://doi.org/10.5599/admet.2988; journal; lipid; mechanisms; models; nanoparticles; peptides; permeability; proteins; receptor; research; strategies; systems; targeting; transport
• Nano-biomaterials in cancer therapy: Advances in targeting and overcoming cancer stem cell resistance: Review paper by Dehghani, Marzieh ; Hajipour-Verdom=, Behnam; Rahimzadeh, Fatemeh; Abdolmaleki, Parviz (2025) - A central driver of these limitations is cancer stem cells (CSCs) - a rare subpopulation of tumour cells endowed with self-renewal and differentiation potential. All of these are linked to the presence of cancer stem cells (CSCs), also known as cancer-initiating or tumour-initiating cells, within the tumour microenvironment (TME) Keywords: 13(5; admet; apoptosis; biomaterials; breast; breast cancer; cancer; cancer cells; cancer stem; cancer therapy; cd44; cells; chemotherapy; cscs; dmpk; dna; dormancy; drug; https://doi.org/10.5599/admet.3007; metastasis; nanoparticles; oxide; recurrence; resistance; role; stem cells; survival; targeting; therapies; therapy; treatment; tumour
• ZnO-modified carbon paste electrode for electrochemical sensing of dopamine in the presence of tyrosine: Original scientific article by Obaid Imarah, Ali; Hasan, Nada ; Alabbasi, Mustafa G. (2025) - Inset: Plot of scan rate square root versus dopamine peak current Chronoamperometric measurements The ZnO/CPE was used to perform chronoamperometric studies of the dopamine sample at 0.25 V. Figure 3 shows the result for the various dopamine samples. Inset B - slope plot of straight-line versus dopamine concentration Calibration curve The oxidation peak currents of dopamine and tyrosine were measured in aqueous media of the two target compounds using a ZnO/CPE. Keywords: carbon; cpe; detection; determination; disease; dmpk; dopamine; electrode; journal; parkinson; paste; presence; tyrosine; zno
• Precision therapeutics in non-scarring alopecia: a systemic genomic and pathway-based framework for targeted interventions: Review paper by Kapoor, Rinky; Bellani, Depti; Patil, Raji; Bose, Debalina; Pola, Madhuri; Singh, Prashant Anilkumar; Mishra, Mamata; Shome, Debraj (2025) - Some molecular signalling pathways that can be targeted for hair growth include Wnt signalling pathway factors, hair follicle stem cell regulation pathways, etc. [29] Dysregulated hair follicle stem cells (HFSCs) + environmental factors Targeting HFSCs will cure non-scarring alopecia Keywords: admet; aga; alopecia; androgen; areata; cells; dermatology; dmpk; expression; follicle; gene; growth; hair; hair loss; immune; journal; kapoor; loss; pathways; scarring; stem; stress; studies; therapies; treatment; wnt
• Liposome-mediated gene delivery: A comprehensive review of biophysical parameters, lipid composition and targeting strategies: Review paper by Jafari Sale, Erfan; Satari, Mohammad; Hajipour-Verdom, Behnam (2025) - Nanoliposomes, which are self-assembled phospholipid vesicular structures, vary from unilamellar to multilamellar structures, varying from unilamellar vesicles (ULVs), oligolamellar vesicles (OLVs), multilamellar vesicles (MLVs), and multivesicular liposomes (MVLs)-with varying effects on gene delivery efficiency [48,49] (Figure 2). However, excessive binding affinity may impede NA release, potentially reducing gene delivery efficiency Keywords: 00(0; acid; admet; binding; cancer; cationic; cells; chemical; chemistry; cholesterol; delivery; dmpk; dna; dope; drug; drug delivery; efficiency; endosomal; gene; gene delivery; gene therapy; journal; lipids; liposomes; membrane; nanoparticles; properties; release; research; reviews; stability; structure; systems; targeting; therapy; transfection; vectors
• Poly(lactic-co-glycolic acid) nanoparticles and microparticles for peptide delivery: release mechanisms and controlling factors: Review paper by Eshaghi, Mohammadmahdi; Dehghani, Marzieh ; Abedi, Azam; Moosazadeh Moghaddam , Mehrdad; Taheri, Ramezan Ali (2025) - This review summarizes the mechanisms governing peptide release from PLGA particles and identifies formulation factors critical for optimizing therapeutic performance. This review summarizes current knowledge on peptide release from PLGA nano- and microparticles, examining the fundamental mechanisms, formulation strategies, and factors influencing release kinetics. Keywords: 00(0; acid; admet; burst; days; degradation; delivery; diffusion; dmpk; drug; encapsulation; https://doi.org/10.5599/admet.3091; journal; loading; microparticles; nanoparticles; peptide; phase; plga; polymer; release; size; systems
• TiO2-embedded molecularly imprinted polymer as electrochemical sensor for ultrasensitive determination of glycopyrronium bromide: Original scientific paper by Dogan, Zehra; Piskin, Ensar ; Cetinkaya, Ahmet ; Bellur Atici, Esen ; Ozkan, Sibel Aysil (2025) - Moreover, electrochemical MIP sensors employ an indirect approach for highly sensitive detection of target analytes at low concentrations (pM and fM). Although MIP sensors modified with the other nanomaterials (AuNPs, CuNPs, AgNPs, and GO) displayed higher ΔIp2 values relative to the unmodified sensor, their ΔIp2 responses were comparatively lower, demonstrating less effective template site accessibility and recognition. Keywords: 13(6; aba@tio2; dmpk; electrochemical; figure; gce; gce sensor; glb; glb/4; mip; nip; nps; polymer; rebinding; removal; sensor; serum; surface; template; time
• Investigation of biopharmaceutical and physicochemical drug properties suitable for orally disintegrating tablets by Ono, Asami; Tomono, Takumi; Ogihara, Takuo; Terada, Katsuhide; Sugano, Kiyohiko (2016) - Box and whisker plots of biopharmaceutical properties of ODT and IR formulation drugs ; the bottom and top of the box are the first and third quartiles, the band inside the box is the median, and the ends of the whiskers are the minimum and maximum. IR formulation drug list used in this study Drug Prescription information Keywords: -1.0; bcs; biopharmaceutical; class; dmpk; dose; drugs; formulation; hydrochloride; log; odt; properties; solubility; t1/2; water
• ADME/DMPK in the development and use of tyrosine and serine-threonine kinase inhibitors by Peters, Godefridus J.; Tam, Kin (2016) - Other aspects which will receive attention are the role of various efflux pumps for various tyrosine kinases and how to use docking models to develop kinase inhibitors. In this special issue of ADMET and DMPK we intended to illustrate a number of issues important in the development of various protein kinase inhibitors, with a special focus on the ADMET and DMPK aspects of these compounds, and how to properly incorporate the basic ADMET and DMPK information to optimize the design of clinical trials. Keywords: admet; compounds; development; dmpk; kinase; tyrosine
• In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery by Valko, Klara Livia; Teague, Simon P.; Pidgeon, Charles (2017) - A balanced potency and chromatographically determined membrane and protein binding (IAM MB/PB) data enable selecting drug discovery compounds for further analysis that have the highest probability to show the desired in vivo distribution behavior for efficacy and reduced chance for toxicity. Recently, it was found that promiscuity (i.e., a discovery compound binding to multiple receptors) showed good correlation to the IAM MB of drug discovery compounds. Keywords: admet; binding; compounds; concentration; data; discovery; distribution; dmpk; drug; efficiency; hydrochloride; iam; log; membrane; protein; test; train; vivo; volume
• Consensus rank orderings of molecular fingerprints illustrate the most genuine similarities between marketed drugs and small endogenous human metabolites, but highlight exogenous natural products as the most important ‘natural’ drug transporter substrates by O'Hagan, Steve; Kell, Douglas Bruce (2017) - This has profound implication for our understanding of the nature and evolution of human drug transporters. This implies strongly that it is these exogeneous (dietary and medicinal) natural products that are more to be seen as the ‘natural’ substrates of drug transporters (as is recognised, for instance, for the solute carrier SLC22A4 and ergothioneine). Keywords: admet; chem; d.b; discovery; dmpk; doi; drug transporter; drugs; encoding; endogenite; ergothioneine; figure; human; kell; maccs; metabolites; molecules; o'hagan; order; products; rank; recon2; sci; similarities; similarity; substrates; tanimoto; transporter; unpd
• Uric acid transporter inhibitors for gout by Tan, Philip K.; Miner, Jeffrey N. (2017) - Renal handling of uric acid In early studies on renal apical BBMVs (brush-border membrane vesicles) and basolateral vesicles, transport activities were characterized [58] and eventually led to the cloning of uric acid transporters from renal tissue and the discovery of a multiprotein transportasome functioning to regulate uric acid levels at the apical membrane Despite the strength of the association between uric acid and cardiovascular disease, hypertension and chronic kidney disease, these studies do not provide causation, thus it is unclear if uric acid levels are the culprit in driving these illnesses. Keywords: acid; acid levels; dmpk; figure; gout; journal; levels; reabsorption; renal; sua; transporters; tubule; urate
• The role of pharmacology in anticancer drug development by Peters, Godefridus J.; Govaerts, Anne-Sophie; Hendriks, Hans R.; Group, for EORTC Pharmacology and Molecular Mechanism (2018) - In order to enhance cancer drug development in the 1980s, the National Cancer Institute (NCI) adopted a new screening system using 60 different tumour cell lines from various histologies. Considerable multidisciplinary expertise in drug development was combined by the CRC and EORTC-PAMM: chemists, pharmacists, biologists, pharmacologists, oncologists. Keywords: activity; admet; cancer; cell; compounds; development; dmpk; drug; eortc; figure; lines; mice; nci; vivo
• Cocrystal solubility-pH and drug solubilization capacity of sodium dodecyl sulfate – mass action model for data analysis and simulation to improve design of experiments by Avdeef, Alex (2018) - Conclusion The main objective of the study was to apply simulation methods to represent drug-micelle equilibrium reactions (based on the mass action paradigm), so as to optimize the design of experimental approaches used to assess drug solubility as a function of pH and the amount of added sodium dodecyl sulfate, particularly when applied to cocrystal formulations. A compilation of 101 published SDS k values of mostly poorly-soluble drug molecules was used to develop a prediction model as a function of the drug’s intrinsic solubility, S0, and its calculated H-bond acceptor/donor potential. Keywords: action; admet; api; cmc; cocrystal; concentration; data; dmpk; drug; figure; log; mass; micelle; model; sds; solubility; solubilization; surfactant; values
• Special issue devoted to the 6th IAPC Meeting: joint events comprising 6th World conference on physico-chemical methods in drug discovery and development and 3rd World conference on ADMET and DMPK by Tam, Kin; Mandić, Zoran (2018) - (2018) 1-3; doi: http://dx.doi.org/10.5599/admet.6.1.522 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Special issue devoted to the 6th IAPC Meeting: joint events comprising 6th World conference on physico-chemical methods in drug discovery and development and 3rd World conference on ADMET and DMPK Kin Tam1 and Zoran Mandić2 1 Faculty of Health Sciences, University of Macau, Macau, China E-mail: kintam@umac.mo; Tel.: The role of pharmacology in anticancer drug development. Keywords: admet; dmpk; drug; world
• Leveraging chromatography based physicochemical properties for efficient drug design by Goetz, Gilles H.; Shalaeva, Marina (2018) - For drug compounds ionized at physiological pH, log DpH is more relevant than log P, however, it deviates because of its dependence on pKa. Keywords ElogD, EPSA; lipophilicity, exposed polarity Introduction An active molecule with favorable pharmacokinetic/pharmacodynamic (PK/PD) properties is the goal of drug design. Keywords: admet; chemistry; clearance; compounds; design; discovery; dmpk; drug; elog; epsa; figure; goetz; journal; lipophilicity; log; log d; molecules; permeability; polarity; properties; surface; values
• Chromatographic technique to support ADMET&DMPK in early drug discovery by Valko, Klara Livia (2018) - Contributions were invited and received from several researchers who are well respected in this field to enlighten the readers of the more recent developments and applications in chromatography and in separation science as applied in support of drug discovery. Chromatographic technique to support ADMET&DMPK in early drug discovery 71 ADMET & DMPK 6(2) (2018) 71-73; doi: 10.5599/admet.559 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Chromatographic technique to support ADMET&DMPK in early drug discovery Klara Valko1,2 Keywords: admet; chromatography; discovery; dmpk; drug
• Molecular docking studies of salubrinal and its analogs as inhibitors of the GADD34:PP1 enzyme by Zadorozhnii, Pavlo V.; Pokotylo, Ihor O.; Kiselev, Vadym V.; Okhtina, Oxana V.; Kharchenko, Aleksandr V. (2019) - Structures of salubrinal analogues, surpassing it in the strength of the salubrinal preparation superior to the strength of the formed complex with the GADD34:PP1 holoenzyme. The results of geometry optimization of salubrinal analogues containing cinnamic acid residue S2 Table S2. Keywords: acid; admet; atom; cell; dmpk; docking; fragment; gadd34; molecule; pp1; reticulum; salubrinal; stress
• Physiologically based pharmacokinetic (PBPK) modeling and simulation in drug discovery and development by Shaik, Abdul Naveed; Khan, Ansar Ali (2019) - PBPK models can be used in different phases of drug development including the first in human (FIH) dose prediction from preclinical data. In particular, these regulatory agencies have issued guidance for application and use of PBPK models at various stages of drug development including, investigational new drug applications (INDs), new drug applications (NDAs), biologics license applications (BLAs), or abbreviated new drug applications (ANDAs) etc. Keywords: development; dmpk; drug; pbpk
• Prediction of ADME-Tox properties and toxicological endpoints of triazole fungicides used for cereals protection by Gridan, Ionut Mădălin; Ciorsac, Alecu Aurel; Isvoran, Adriana (2019) - We have also evaluated the skin sensitization potential of investigated triazole fungicides using Pred- Skin computational tool and the results are illustrated in Table 4. Taking into account that the binary model has a higher accuracy of predictions, we consider that investigated triazole fungicides reflect potential to block the hERG K+ channels. Keywords: admet; blocker; compounds; data; dmpk; effects; endocrine; fungicides; herg; pesticides; potential; ppdb; predictions; probability; sensitization; sensitizer; skin; table; tool; triazole
• Perspectives in solubility measurement and interpretation by Bergström, Christel A.S.; Avdeef, Alex (2019) - Computational prediction of drug solubility in fasted simulated and aspirated human intestinal fluid. Perspectives in solubility measurement and interpretation doi: 10.5599/admet.686 88 ADMET & DMPK 7(2) (2019) 88-105; doi: http://dx.doi.org/10.5599/admet.686 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Review Perspectives in solubility measurement and interpretation Christel A.S. Bergström1 and Alex Avdeef 2,* 1 Department of Pharmacy, Uppsala University, BMC P.O. Box 580, SE-751 23 Uppsala, Sweden 2 in-ADME Research, 1732 First Avenue, #102, New York, NY 10128, USA *Corresponding Author: E-mail: Alex@in-ADME.com; Tel.: Keywords: acid; admet; avdeef; curve; data; dmpk; drug; equilibrium; figure; form; log; measurement; molecules; pharm; phase; solid; solubility; solution; values
• The Roles of Doxorubicin in Hepatocellular Carcinoma by Tam, Kin (2013) - When administrated via the hepatic artery, doxorubicin showed anti-tumour effects and partial response in HCC patients. Liver transplantation is the only surgical option for HCC patients with impaired liver function. Keywords: admet; beads; cancer; chemotherapy; deb; dmpk; doxorubicin; drug; hcc; journal; liver; patients; procedure; survival; tace; treatment; tumour
• Harmonizing solubility measurement to lower inter-laboratory variance – progress of consortium of biopharmaceutical tools (CoBiTo) in Japan by Ono, Asami; Matsumura, Naoya; Kimoto, Takahiro; Akiyama, Yoshiyuki; Funaki, Satoko; Tamura, Naomi; Hayashi, Shun; Kojima, Yukiko; Fushimi, Masahiro; Sudaki, Hiroshi; Aihara, Risa; Haruna, Yuka; Jiko, Maiko; Iwasaki, Masaru; Fujita, Takuya; Sugano, Kiyohiko (2019) - For the assessment of drug solubility in physiological gastrointestinal conditions, an HCl solution of pH 1 to 2 is often used. The purpose of the present study was to harmonize the experimental procedures of solubility measurements by the shake-flask method for low solubility drugs to lower inter-laboratory variance. Keywords: dmpk; drug; equilibrium; japan; measurement; model; pharm; solubility; variance
• Nanogels as nanocarriers for drug delivery: A review by Rajput, Rahul; Narkhede, Jitendra; Naik, Jitendra B (2020) - Preparation of nanogel using polymeric precursors II) Synthesis of nanogel network by heterogeneous polymerisation of monomers Polymers and monomers having different nanoscopic structures formed by amphiphilic copolymers are used for the preparation of nanogels. An active pharmaceutical agent or therapeutic agent with high or low molecular weight can be easily encapsulated into nanogels that can be delivered to the site of action via various routes, including oral, pulmonary, nasal, parenteral and intraocular routes, among others. Keywords: 8(1; acid; applications; cross; delivery; dmpk; drug; drug delivery; figure; http://dx.doi.org/10.5599/admet.724; journal; linking; nanogels; polymer; polymerisation; release; size
• Biophysical methods in early drug discovery by Holdgate, Geoffrey; Embrey, Kevin; Milbradt, Alexander; Davies, Gareth (2019) - It has been applied both in the characterisation of target proteins, where it has been primarily focussed on quality control as well as target identification and validation. The sensitivity means that relatively low amounts of target protein are required, of course there is no requirement for labelling of reagents and the process can be automated, all features that contribute to the quality, speed and cost considerations required when deciding upon a primary screening approach. Keywords: admet; affinity; assay; binding; compounds; data; discovery; dmpk; drug; figure; fragment; hits; hts; ligand; mass; methods; nmr; protein; screening; spectrometry; spr; target; throughput
• Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database by Avdeef, Alex (2020) - For drug solubility prediction, the ideal training sets would consist of molecules of interest to discovery projects. Experimental and computational screening models for prediction of aqueous drug solubility. Keywords: 8(1; abraham; acid; admet; avdeef; base; calc; ch3; chem; compounds; data; database; descriptors; dmpk; drug; filt; forest; gse; http://dx.doi.org/10.5599/admet.766; j. pharm; log; log s0; method; molecules; pharm; prediction; regression; rfr; rmse; salt; sci; sep; set; solubility; solubility data; solubility prediction; solubility values; solvation; test; training; values
• Can small drugs predict the intrinsic aqueous solubility of ‘beyond Rule of 5’ big drugs? by Avdeef, Alex; Kansy, Manfred (2020) - Prediction of drug solubility by the General Solubility Equation. Abstract The aim of the study was to explore to what extent small molecules (mostly from the Rule of 5 chemical space) can be used to predict the intrinsic aqueous solubility, S0, of big molecules from beyond the Rule of 5 (bRo5) space. Keywords: absolv; admet; avdeef; chem; compounds; descriptors; dmpk; drugs; equation; figure; gse; http://dx.doi.org/10.5599/admet.794; log; log s0; molecules; pharm; prediction; rfr; rule; set; solubility; solute; water
• Editorial Board Member: brief biography by Wan, Hong (2013) - Before moving back to China in 2010, he worked for AstraZeneca RD, Mölndal, Sweden for 10 years, from Discovery DMPK & Bioanalytical Chemistry to Lead Generation DMPK and Physical Chemistry, and as a Principal Scientist since 2007. Prior to joining SHHRP in May 2013, he was Executive Director of DMPK & Bioanalysis Department at a CRO in China, Crown Bioscience Inc (Taicang), for 3 years. Keywords: chemistry; dmpk
• Three machine learning models for the 2019 Solubility Challenge by Mitchell, John (2020) - Computational methodology for solubility prediction: Application to the sparingly soluble solutes. Thus, solubility values were acquired for 89 compounds from the low-variance set and 26 compounds from the high-variance set, and the set of predictions assessed over these values. Keywords: admet; avdeef; challenge; compounds; data; dmpk; forest; http://dx.doi.org/10.5599/admet.835; line; literature; log; machinarum; models; molecules; predictions; set; solubilities; solubility; solubility challenge; table; test; trees; values; vox
• Electrospun nanofibers: A nanotechnological approach for drug delivery and dissolution optimization in poorly water-soluble drugs by Castillo-Henríquez, Luis; Vargas-Zúñiga, Rolando; Pacheco-Molina, Jorge; Vega-Baudrit, Jose (2020) - In addition to that, Miguel et al. have worked with electrospun nanofibers loaded with bioactive molecules for improving wound healing [7]. However, among the mentioned applications of electrospun nanofibers, the most relevant is their capacity to act as drug delivery systems due to their high loading capacity, faster dissolution kinetics, APIs simultaneous delivery, and encapsulation. Keywords: 8(4; admet; applications; delivery; dissolution; dmpk; drug; drug delivery; electrospinning; electrospun; electrospun nanofibers; engineering; https://dx.doi.org/10.5599/admet.844; jet; journal; materials; nanofibers; pharmaceutical; polymer; process; properties; release; science; solubility; solution; solvent; system; wang; water
• Global testing of a consensus solubility assessment to enhance robustness of the WHO biopharmaceutical classification system by Gigante, Valeria; Pauletti, Giovanni M. ; Kopp, Sabine; Xu, Minghze ; Gonzalez-Alvarez, Isabel; Merino, Virginia; McIntosh, Michelle P. ; Wessels, Anita; Lee, Beom-Jin; Rezende, Kênnia Rocha ; Scriba, Gerhard K.E.; Jadaun, Gaurav P. S.; Bermejo, Marival (2020) - Intra-laboratory variability was ≤5 %, and no apparent association of inter-laboratory variability with API solubility was discovered. https://www.who.int/medicines/areas/quality_safety/quality_assurance/ProposalWaiveVivoBioequivalenceRequirementsModelListEssentialMedicinesImmediateReleaseSolidOralDosageFormsTRS937Annex8.pdf?ua=1 https://www.who.int/medicines/areas/quality_safety/quality_assurance/ProposalWaiveVivoBioequivalenceRequirementsModelListEssentialMedicinesImmediateReleaseSolidOralDosageFormsTRS937Annex8.pdf?ua=1 https://www.who.int/medicines/areas/quality_safety/quality_assurance/trs1003_annex6.pdf?ua=1 ADMET & DMPK 9(1) (2021) 23-39 Enhancing robustness of the WHO biopharmaceutical classification system doi: https://dx.doi.org/10.5599/admet.850 27 The time required to reach equilibrium was experimentally defined during a preliminary experiment performed at the pH value where lowest API solubility was predicted. Keywords: absorption; admet; api; apis; bcs; classification; data; dmpk; doi; dose; drug; health; laboratories; medicines; model; permeability; pharmaceutical; protocol; solubility
• Strategies of solubility enhancement and perspectives in solubility measurements of pharmaceutical compounds by Bergström, Christel; Llinàs, Antonio (2020) - The authors also contrast their models to other solubility models, providing an updated view on the standing of this field. In relation to generation of more predictive solubility models, Mitchell contributes with a paper using three different machine learning models to predict the ‘2019 Solubility challenge dataset’ Keywords: admet; dissolution; dmpk; issue; models; solubility; uppsala
• A concise review on lipidomics analysis in biological samples by Addepalli, Ramani; Mullangi, Ramesh (2020) - In this review, we are providing an overview of the current understanding of lipid analysis taking into account the workflow, http://dx.doi.org/10.5599/admet.913 R.V. Addepalli and R. Mullangi ADMET & DMPK 9(1) (2021) 1-22 4 methodologies, technical characteristics and bottlenecks. Integrating UHPLC with ToF- MS (UHPLC/Q-ToF-MS) is powerful tool, which enables high resolution chromatographic separation coupled with structure elucidation and identification of fragmentation patterns of the comprehensive nontargeted lipid analysis [49]. Keywords: acid; analysis; chemistry; chromatography; dmpk; doi; fatty; http://dx.doi.org/10.5599/admet.913; identification; ion; ionization; journal; lipid; lipidomics; liquid; maldi; mass; mass spectrometry; mobility; phase; plasma; resolution; review; samples; separation; shotgun; species; spectrometry; technique; time
• Lost in modelling and simulation? by Sugano, Kiyohiko (2021) - Method section Based on the scientific ethics of transparency and reproducibility, authors are requested to disclose the model equations, physiological parameters, and drug parameters (section 2.1) that are sufficient for peer- review (or appropriate references to them). Drug parameters are available from preclinical in vitro studies (Table 1). Keywords: absorption; admet; approach; calculation; case; data; dissolution; dmpk; drug; effect; j. pharm; middle; model; modelling; parameter; pbpk; pbpk modelling; permeability; pharm; prediction; sci; section; simulation; solubility; sugano; vitro; vivo
• Organ-on-a-Chip systems for new drugs development by Vargas, Ronny; Medina, Laura; Egurbide, Andrea (2021) - Organoids and organ chips in ophthalmology. Furthermore, OoC have the potential to reduce and supplement the use of animals, cell models, and even humans in new drugs development [7]. Keywords: admet; blood; brain; cancer; cell; challenges; chip; chip systems; culture; development; dmpk; drug; engineering; evaluation; figure; http://doi.org/10.5599/admet.942; human; liver; lung; microfluidic; models; ooc; ooc systems; organ; studies; study; systems; tissue; wang
• Prediction of hERG inhibition of drug discovery compounds using biomimetic HPLC measurements by Stergiopoulos, Chrysanthos; Tsopelas, Fotios; Valko, Klara (2021) - Prediction of hERG inhibition of drug discovery compounds using biomimetic HPLC measurements doi: http://dx.doi.org/10.5599/admet.995 191 ADMET & DMPK 9(3) (2021) 191-207; doi: https://doi.org/10.5599/admet.995 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Prediction of hERG inhibition of drug discovery compounds using biomimetic HPLC measurements Chrysanthos Stergiopoulos1*, Fotios Tsopelas1 and Klara Valko2 1 Laboratory of Inorganic and Analytical Chemistry, School of Chemical Engineering, National Technical University of Athens 2 Bio-Mimetic Chromatography Ltd. Keywords: admet; agp; binding; biomimetic; channel; chi; compounds; dmpk; drug; herg; iam; inhibition; log; measurements; min; model; properties; set; values

• Synthesis and biological evaluation of coumarin-quinone hybrids as multifunctional bioactive agents by Pangal, Anees; Ahmed, Khursheed (2022) - The wells without test compound were considered as control and streptomycin was used as standard. The wells without test compound were considered as control and itraconazole was used as standard. Keywords: activity; admet; analogs; cancer; cell; chem; compounds; coumarin; derivatives; drug; dtbsb; hybrids; ic50; properties; quinone; results; test; values
• pKa-critical Interpretations of Solubility–pH Profiles: PG 300995 and NSC-639829 Case Studies by Butcher, George; Comer, John; Avdeef, Alex (2015) - Abstract Two weak bases, PG-300995 (anti-HIV agent) and NSC-639829 (anti-tumor agent), whose log S – pH profiles had been previously published, but whose pKa values had not been reported, were analyzed using a method which can determine pKa values from log S – pH data. Potentiometric and UV methods are particularly well-suited for measuring pKa values. Keywords: admet; log; nsc-639829; pka; solubility; sph; values
• ADME-Tox profiling of some low molecular weight water soluble chitosan derivatives by Isvoran, Adriana; Ciorsac, Alecu Aurel; Ostafe, Vasile (2017) - There are limited data in specific literature concerning the effects of chitosan and chitosan derivatives on humans, most in vivo data being obtained from studies performed on animals, usually rodents [3]. Within this study we use a few computational tools for predicting absorption, distribution, metabolism, excretion and toxicity (ADME-Tox), pharmacokinetics profiles, toxic/adverse effects, carcinogenicity, cardiotoxicity and endocrine disruption of some of low molecular weight water soluble derivatives of chitosan that are used in wound healing. Keywords: admet; carboxymethyl; carboxymethyl chitosan; chitosan; compounds; derivatives; effects; low; pass; pharmacokinetics; properties; tool; weight
• NMR spectroscopy in drug discovery and development: Evaluation of physico-chemical properties by Zloh, Mire (2019) - Therefore, despite its disadvantages, NMR spectroscopy plays a significant role in the drug discovery and development processes. The new peaks that appear in samples, possibly during the degradation studies, can be quantified by NMR and further characterized by a combination of NMR spectroscopy and mass spectrometry (MS) protocol (Figure 2) Keywords: admet; compounds; determination; development; discovery; drug; molecules; nmr; pharmaceutical; properties; qnmr; signal; solubility; spectroscopy
• Solubility and ADMET profiles of short oligomers of lactic acid by Dascălu, Daniela; Roman, Diana Larisa; Filip, Madalina; Ciorsac, Alecu Aurel; Ostafe, Vasile; Isvoran, Adriana (2020) - Method Within this study, we have considered short PLA oligomers (OLAs) containing from 1 to 40 lactic acid units. No -0.99 0.74 No 0.49 Data presented in Table 3 illustrate that PLA short oligomers are predicted to have good gastrointestinal absorption and they are not considered substrates of the P-glycoprotein. Keywords: acid; admet; ali; chemical; data; doi; effects; log; olas; oligomers; pla; potential; profiles; solubility; tool; values; weight

• Development of fiber optic in vitro release testing method for dexamethasone release from the oil solutions by Kozlina, Filip; Meštrović, Ivan; Novak, Viktor; Marjanović, Nikola; Cetina-Cizmek, Biserka (2022) - Results of partitioning study for DEX test solutions (SD – standard deviation, n=3). This article presents the development of a new IVR method for oil solutions using a dialysis membrane and USP II apparatus coupled to a fiber optic UV-Vis spectrometer. Keywords: dex; drug; isopropanol; ivr; medium; method; oil; release; solubility; solutions; test
• Linear combination methods for prediction of drug skin permeation by Scheler, Stefan; Fahr, Alfred; Liu, Xiangli (2015) - Squares: acids, diamonds: neutral compounds, triangles: bases. Squares: acids, diamonds: neutral compounds, triangles: bases. Keywords: anion; cation; cerasome; compounds; corneum; data; drug; hansen; journal; lekc; log; mpa1/2; parameters; retention; skin; solubility; stratum; substances
• Food effect risk assessment in preformulation stage using material sparing µFLUX methodology by Jankovsky, Corinne; Tsinman, Oksana; Thakral, Naveen (2022) - Predicting drug disposition, absorption/elimination/transporter interplay and the role of food on drug absorption. Bile salts and their importance for drug absorption. Keywords: absorption; bile; compounds; concentration; dissolution; drug; effect; fassif; fed; flux; food; food effect; media; membrane; ratio; solubility; state; time
• Anomalous salting-out, self-association and pKa effects in the practically-insoluble bromothymol blue by Avdeef, Alex (2023) - It soon became evident that a range of reasonable pKa1 values could be proposed and the fitting of the Schill data (Fig. 2) would be equally good (as indicated by the minimum GOF reached). Figure 5. (a) Salting-out and (b) dimerization effects in bromothymol blue saturated solutions, as a function of the amount of added salt, NaCl. Keywords: blue; btb; data; model; nacl; pka1; salting; schill; solubility; solutions; value
• Mechanistically transparent models for predicting aqueous solubility of rigid, slightly flexible, and very flexible drugs (MW by Avdeef, Alex (2023) - Our five studies in solubility prediction have attempted to match the performance of the Random Forest regression method, using relatively simple, mechanistically transparent, and easily applied models [5]. This set has been widely tested by other investigators, to assess the effectiveness of prediction models. Keywords: absolv(grp; avdeef; consensus; drugs; gse(φ; log; model; molecules; prediction; rfr; set; solubility; test
• Development of olanzapine solid dispersion by spray drying technique using screening design for solubility enhancement by Patil, Leena; Verma, Umakant; Rajput, Rahul; Patil, Pritam; Chaterjee, Aniruddha; Naik, Jitendra B. (2023) - Range of OLZ solubility in OSD from 1.44 to 11.51 mg ml-1. In contrast, the dissolution rate of OLZ solid dispersion significantly increased. Keywords: design; dispersion; dissolution; drug; gly; k-30; olz; osd; pvp; rate; response; solubility; spray; variables
• Oral bioavailability enhancement of doxazosin mesylate: Nanosuspension versus self-nanoemulsifying drug delivery systems by Al Ashmawy, Al Zahraa G.; Alyami, Mohammad H.; Eissa, Noura G.; Balata, Gehan F.; El Nahas, Hanan M. (2023) - Emerging role of nanosuspensions in drug delivery systems. Expert opinion on drug delivery 11 (2014) 505-516. Keywords: delivery; dox; drug; group; journal; liquid; nanosuspension; rats; release; self; size; snedds; solubility
• Investigation of magnesium aluminometasilicate (Neusilin US2) based surface solid dispersion of sorafenib tosylate using QbD approach: In vitro and in vivo pharmacokinetic study by Kumar Panda, Bijoy; Chellampillai, Bothiraja; Ghodke, Sharad; Mali, Ashwin; Kamble, Ravindra (2024) - Key results: The obtained SFN-SSD showed more than 20-fold improvement in SFN solubility. Considering the advantages of the SSD technique, the present study aims to develop surface solid dispersion of sorafenib tosylate (SFN-SSD) using NU2 as an adsorbent and sodium dodecyl sulphate (SDS) as a surfactant using a solvent evaporation technique for improving SFN solubility, bioavailability, and therapeutic efficacy. Keywords: concentration; dispersion; dissolution; drug; figure; https://doi.org/10.5599/admet.2338; neusilin; nu2; pure; release; sfn; solubility; sorafenib; ssd; surface; tablets; us2; water
• Basil seed mucilage as a bioadhesive polymer: Development of naproxen sodium microspheres and suppositories with in-vitro and ex-vivo studies : Original scientific article by Tripathi, Devika; Rathour, Krisaly; Pandey, Prashant; Tiwari, Ritesh Kumar; Rai, Awani Kumar (2024) - Development of naproxen sodium microspheres and suppositories with in-vitro and ex-vivo studies Devika Tripathi,1,*, Krislay Rathour1, Prashant Pandey2,3, Ritesh Kumar Tiwari4 and Awani Kumar Rai1 1PSIT-Pranveer Singh Institute of Technology (Pharmacy), Kanpur-209305, U.P., India 2Department of Pharmaceutical Sciences, Babasaheb Bhimrao Ambedkar University Lucknow- 226025, U.P., India 3Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Alberta T6G 2E1, Canada 4Shri Ram Murti Smarak College of Engineering and Technology (Pharmacy), Bareilly-243202, U.P., India *Coresponding Author: E-mail: tripd990@gmail.com; Tel.: +91-8853179519 Received: May 15, 2024; Revised: August 28, 2024; Published: October 3,2024 Abstract Background and purpose: The study explores basil seed mucilage as a bioadhesive carrier for naproxen sodium, demonstrating its ability to enhance solubility when administered rectally. These findings underscore the efficacy of basil seed mucilage as a bioadhesive biopolymer for rectal drug delivery systems. Keywords: analysis; ash; basil; basil mucilage; basil seed; basilicum; bioadhesive; delivery; drug; formulation; https://doi.org/10.5599/admet.2372; microspheres; mucilage; naproxen; ocimum; polymer; rectal; release; seed; seed mucilage; sodium; solubility; study; suppositories; swelling; water
• Salt Solubility Products of Diprenorphine Hydrochloride, Codeine and Lidocaine Hydrochlorides and Phosphates – Novel Method of Data Analysis Not Dependent on Explicit Solubility Equations by Völgyi, Gergely; Marosi, Attila; Takács-Novák, Krisztina; Avdeef, Alex (2013) - This is because salt solubility constants are conditional, and in some cases require the actual weights to determine solubility products, especially when aggregates form in saturated solutions or when salt stoichiometries are complex. Salt solubility, being a conditional constant, takes on different values according to the concentrations and types of reactants used in a particular study. Keywords: constants; drug; lidocaine; pharm; phosphate; salt; solubility; values; xh2
• Ex vivo propofol permeation across nasal mucosa: A proof-of-concept study for outpatient light sedation via nasal route by Spampinato, Michele Domenico; Costanzini, Anna; De Giorgio, Roberto; Passaro, Angelina; Realdon, Nicola; Bortolotti, Fabrizio; Banella, Sabrina; Colombo, Gaia (2024) - Only one study investigated the sedation effect elicited by PPF emulsion administered intranasally to rats [20]. Later, the solubilizing action of sulfobutylether 7‐β‐cyclodextrin (SBE-CD) was exploited, yielding, after compounding and lyophilization, a product with PPF concentration of 10 mg/ml Keywords: concentration; drug; emulsion; journal; nasal; permeation; ppf; propofol; saline; sedation; solubility
• Simulated rat intestinal fluid improves oral exposure prediction for poorly soluble compounds over a wide dose range by Berghausen, Joerg; Seiler, Frank Hans; Gobeau, Nathalie; Faller, Bernard (2016) - Since the introduction of the human FaSSIF and FeSSIF media, there is an option to obtain solubility values which are more appropriate as input parameters for PBPK simulations and FaSSIF solubility maybe one of the physico-chemical parameters that is determined as one of the first after a compound is sent out for characterization. As a consequence, due to the significant deviations from the linear fit for many compounds, the estimation of bile salt solubility for individual compounds is regarded as not sufficient to support studying ADMET & DMPK 4(1) Keywords: auc; bile; buffer; cmax; compound; cpd; fassif; fluid; obs; pbpk; rat; rsif; salt; solubility
• Comparison of lipophilic and size-exclusion membranes: the effect of stirring and cyclodextrin in the donor compartment: Original scientific article by Tozser, Petra; Kádár, Szabina; Szabó, Edina; Dobó, Máté; Toth, Gergo; Balogh, György Tibor; Soti, Peter; Sinkó, Bálint; Borbas, Eniko (2025) - Membrane transport of HP-β-CD at 250 rpm and 37 °C with μFlux apparatus applied lipophilic membrane (was not detectable at concentrations above the LOD), 1 kDa size-exclusion membrane with orange dots, 6 kDa size- exclusion membrane with gray dots , (1.54 cm2 membrane surface), using Buvari-Barcza For that reason, this study aims to investigate whether size-exclusion membranes can be an alternative for lipophilic membranes in the case of studying drug formulations of the same API and what the advantages and limitations are. Keywords: buffer; c c; case; donor; drug; exclusion; exclusion membranes; kda; lipophilic; membrane; permeability; rpm; size; solubility; stirring; transport; uwl
• Prediction of metabolism and solubility of tablet-form drugs according to the biopharmaceutical drug disposition classification system: Original scientific article by Pushkarova, Yaroslava; Zaitseva, Galina; Bouaalam, Kaouthar (2025) - Computational prediction of drug solubility in water-based systems: The lower accuracy observed for solubility prediction reflects its complex and multifactorial nature, highlighting the need for further refinement of molecular descriptors. Keywords: bond; classification; descriptors; drug; hydrogen; metabolism; prediction; solubility
• Anomalous Solubility Behavior of Several Acidic Drugs by Avdeef, Alex (2014) - Keywords Sparingly-soluble drugs; pH-dependent solubility; salt solubility products; solubility equations; aggregation; shake-flask method. Avdeef ADMET & DMPK 2(1) (2014) 33-42 40 Appendix Shape Pattern Interpretation in Solubility Profiles for Sparingly-Soluble Ionizable Weak Acids An important part of the analysis of solubility profiles involves recognizing characteristic shapes and interpreting these in terms of an equilibrium model [2]. Keywords: barbital; data; figure; log; pka; solubility; species
• Phosphate Precipitates and Water-Soluble Aggregates in Re-analyzed Solubility-pH Data of Twenty-five Basic Drugs by Avdeef, Alex (2014) - In addition, the formation of drug aggregates can have significant impact on measured in vitro permeability, since aqueous diffusivity of compounds depends on their size, e.g., as was suggested in the Caco-2 study of retinoic acid in neutral solution [6]. Since salt solubility is a conditional constant, depending on the drug and the specific counterion concentrations, the determination of the thermodynamic solubility product allows for scalability of salt effects across a wide range of concentrations of substituents in formulation research. Keywords: aggregates; case; drugs; figure; log; phosphate; salt; solubility
• The intrinsic aqueous solubility of indomethacin by Comer, John; Judge, Sam; Matthews, Darren; Towers, Louise; Falcone, Bruno; Goodman, Jonathan; Dearden, John (2014) - One reported solubility value, (410 μg/mL), is significantly higher than all the others and has been the source of some controversy In CheqSol assays, small aliquots of KOH or HCl solution were added after precipitation to maintain the system close to equilibrium, and solubility results were calculated from rates of pH change vs. concentration. Keywords: acid; cheqsol; curve; data; experiments; form; indomethacin; pharm; solubility; solution
• Biorelevant dissolution of candesartan cilexetil by Gruberová, Lucie; Kratochvil, Bohumil (2017) - Biorelevant media were developed for this purpose because dissolution media described in the International Pharmacopoeia are not thoroughly suitable. Dissolution media were initially intended mainly for quality control purposes and water was frequently used as the dissolution medium. Keywords: biorelevant; dissolution; media; medium; sgf; solubility
• Diagnosing solubility limitations – the example of hydrate formation by Berghausen, Joerg; Faller, Bernard (2014) - Both lipophilicity and intermolecular bonds tend to negatively affect compound solubility, and the aim of this work is to present a way to distinguish them using an example in which the solid state contribution is impacted by hydrate formation. What factors do influence compound solubility? Keywords: compounds; crystal; diagnosis; lattice; limitation; lipophilicity; log; psa; solubility; state
• Increasing the biorelevance of simulated intestinal fluids for better predictions of drug equilibrium solubility in the fasted upper small intestine by Koumandrakis, Nikolaos; Vertzoni, Maria; Reppas, Christos (2014) - This is in line with previous data indicating that luminal proteins may not be important to luminal drug solubility or their global simulation should be done cautiously [3]. In case the active pharmaceutical ingredient (API) is lipophilic, luminal colloidal species (e.g. mixed bile salt micelles) greatly enhance luminal solubility and relevant information is crucial for predictions of drug plasma levels after oral administration of conventional dosage forms, e.g. when physiologically based pharmacokinetic modelling approaches are applied [1]. Keywords: fassifcr; solubility
• Dissolution rate of ciprofloxacin and its cocrystal with resorcinol by Ràfols, Clara; Fael, Hanan; Fuguet, Elisabet; Outhwaite, Breeze; Lee, Samuel; Ruiz, Rebeca (2018) - To this end, dissolution rate has been determined at several biorelevant pH values, and also in two simulated gastrointestinal fluids (FeSSIF and FaSSIF). Diverse strategies have been developed to improve solubility, dissolution rate and subsequently the bioavailability of these drugs. Keywords: buffer; cip; ciprofloxacin; cocrystal; dissolution; pharmaceutical; rate; resorcinol; solubility
• Effects of amount of excess solid, the type of stirring and sedimentation time on solubility of sodium phenytoin and lamotrigine by Mohammadi, Shahrzad Moattar; Shayanfar, Ali; Emami, Shahram; Jouyban, Abolghasem (2018) - The effect of type of stirring on sodium phenytoin solubility in water at 37 °C. (Added weight of drug associated with each of the points in 5 mL of solution is 450 mg and 1250 mg). The effect of sedimentation on sodium phenytoin solubility in water at 37 °C (the suspensions were stirred with magnetic-stirrer). Keywords: drug; effect; excess; phenytoin; sodium; solid; solubility; water
• Investigation of possible solubility and dissolution advantages of cocrystals, I: Aqueous solubility and dissolution rates of ketoconazole and its cocrystals as functions of pH by Vasoya, Jaydip M.; Shah, Ankita V.; Serajuddin, Abu T.M. (2019) - When excess amounts of fumaric acid and succinic acid cocrystals were dissolved in water, pH values of the saturated solutions were, respectively, 4.1 and 4.2, and the solubilities of cocrystals were, respectively, 2.6 and 1.5 mg/mL (as ketoconazole equivalents). Since pHh=0 values for fumaric acid and succinic acid cocrystals at this pH were, respectively, 4.53 and 4.67, where the drug solubility is expected to be much higher than that at the pHh=0 of free base (pH 7.05), it is expected that dissolution rates of cocrystals at pH 7 would also be much higher than that of the free base. Keywords: acid; acid cocrystal; base; cocrystals; dissolution; drug; fig; fumaric; ketoconazole; ketoconazole cocrystals; ketoconazole solubility; pharmaceutical; profiles; rates; solid; solubility; solutions; water
• Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods by Avdeef, Alex (2019) - It is expected that future sessions will continue to cover solubility methods and strategies, to critically address the different needs in pharmaceutical research, spanning from drug discovery to drug development. When solubility prediction methods indicate RMSE below 0.15, ‘overfitting’ is probably taking place, overlapping noise with information. Keywords: cheqsol; log; measurement; method; molecules; sdi; solubility; ssf; values
• Supercritical fluid technology for solubilization of poorly water soluble drugs via micro- and naonosized particle generation by Misra, Shashi Kiran; Pathak, Kamla (2020) - The accuracy presented by SCF processes permits micronization of drug particles, often to submicron stage. A novel approach to predict drugs solubility in supercritical solvents for RESS process using various cubic EoS-mixing rule. Keywords: bioavailability; co2; dissolution; drug; enhancement; fluids; gas; journal; micronization; nanoparticles; particle; pgss; process; rate; ress; sas; scf; size; solid; solubility; solvent; technology
• Solubility of proteins by Vihinen, Mauno (2020) - A benchmark of protein solubility prediction methods on UDP- dependent glycosyltransferases. Methods and approaches are described for prediction of protein solubility and aggregation, as well as predictions of consequences of amino acid substitutions. Keywords: acid; aggregation; amino; amyloid; methods; prediction; protein; protein solubility; sequence; solubility; structures
• Solubility prediction in the bRo5 chemical space: where are we right now? by Ermondi, Giuseppe; Poongavanam, Vasanthanathan; Vallaro, Maura; Kihlberg, Jan; Caron, Giulia (2020) - Computational prediction of drug solubility in water-based systems: Solubility models for a small set of bRo5 drugs We investigated additional methods to model solubility for 10 of the 11 drugs studied earlier by us (rifampicin was excluded because of its zwitterionic nature) Keywords: bro5; chemical; compounds; descriptors; drugs; log; models; prediction; solubility; space
• Image-based dissolution analysis for tracking the surface stability of amorphous powders by Štukelj, Jernej; Agopov, Mikael; Yliruusi, Jouko; Strachan, Clare J.; Svanbäck, Sami (2020) - The approach of measuring amorphous solubility using the SPA technology was recently validated by Štukelj et al. (2019), ADMET & DMPK 8(4) (2020) 401-409 Amorphous solubility over time doi: https://dx.doi.org/10.5599/admet.839 405 with the amorphous solubility of five diverse compounds being assessed by SPA and two orthogonal methods: standardized supersaturation and precipitation, and theoretical estimation based on thermal analysis [18]. ADMET & DMPK 8(4) (2020) 401-409 406 Tracking the solid-state changes and amorphous solubility over time The XRPD diffractograms recorded over time of the two amorphous samples stored at 22 °C/23 % RH and 22 °C/75 % RH are presented in Figure 3. Keywords: crystallization; dissolution; form; indomethacin; sample; solubility; spa; xrpd
• Dissolution of an ensemble of differently shaped poly-dispersed drug particles undergoing solubility reduction: mathematical modelling by Abrami, Michela; Grassi, Lucia; Di Vittorio, Rosario; Hasa, Dritan; Perissutti, Beatrice; Voinovich, Dario; Grassi, Gabriele; Colombo, Italo; Grassi, Mario (2020) - Additionally, due to the relevance in the pharmaceutical field, theorists started considering also possible variation of solubility occurring upon dissolution, whose kinetics, as later discussed, essentially depends on the surface available for dissolution, on mass transport resistance occurring at, and around, the solid/liquid interface and on drug solubility in the liquid phase.  min min( )m sD C k C C         n (4) C(ξmax) = Cb (5) http://dx.doi.org/10.5599/admet.841 Mario Grassi et al. ADMET & DMPK 8(3) (2020) 297-313 300 where  is the one dimensional spatial coordinate, (max -min) is the thickness of the unstirred layer (), n is the surface normal versor, Cs is drug solubility in the dissolution liquid while km is the interface mass transfer coefficient mainly depending on the dissolution surface wetting properties and representing dissolution step 1. Keywords: c c; d d; dissolution; drug; figure; liquid; model; particles; phase; solubility; surface
• ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches by Falcón-Cano, Gabriela; Molina, Christophe; Cabrera-Pérez, Miguel Angel (2020) - In order to find a way to improve the predictive accuracy of aqueous solubility models in silico, a new protocol was developed based on the combination of regression and classification models. Recently, some machine learning (ML) algorithms such as random forests (RF), support vector machines (SVM), k-nearest neighbors (k-NN), and convolutional and recurrent networks have been applied for aqueous solubility prediction, and their performance matches or outperforms the previous results obtained [11–15]. Keywords: aqueous; compounds; data; external; log; mean; model; molecules; prediction; r m; set; silico; solubility; std; values
• Intestinal absorption of BCS class II drugs administered as nanoparticles: A review based on in vivo data from intestinal perfusion models by Dahlgren, David; Sjögren, Erik; Lennernäs, Hans (2020) - A summary of data from both fasted and fed simulated conditions is included, because prandial state has a strong effect on rate and extent of intestinal drug absorption for some drug products. Abstract An established pharmaceutical strategy to increase oral drug absorption of low solubility–high permeability drugs is to create nanoparticles of them. Keywords: absorption; aprepitant; bcs; bioavailability; class; dissolution; drug; fenofibrate; journal; lennernäs; model; nanoparticles; perfusion; permeability; pharmaceutical; rate; size; solubility; vivo
• Do you know your r2? by Avdeef, Alex (2020) - Correlation plots (pS0 = -log S0) – three distinct definitions of coefficients of determination (val = model validation, bias = bias compensation, and Pearson), illustrated by simulated data (squares) containing random and systematic errors. This commentary briefly reviews the definitions of three types of r 2 and RMSE statistics (model validation, bias compensation, and Pearson) and how systematic errors due to shortcomings in solubility prediction models can be differently indicated by the choice of statistical indices. Keywords: bias; prediction; solubility; statistics
• ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge” by Falcón-Cano, Gabriela; Molina, Christophe; Cabrera-Pérez, Miguel Angel (2021) - In our previous publication, we presented a new method based on recursive random forest approaches to predict aqueous solubility values of drug and drug-like molecules [4]. Considering that our model was developed from a database of aqueous solubility values with limited information on the experimental conditions of the solubility assay, could our model successfully predict the intrinsic solubility values of the two sets of drugs used in the second Solubility Challenge? Keywords: aqueous; challenge; data; log; model; molecules; prediction; set; solubility; test

• Estimating the “First in human” dose – a revisit with particular emphases in oncology drugs by Tam, Kin (2013) - Conversion factors of animal doses to human equivalent doses [3] Species To convert animal dose in mg/kg to HED mg/m 2 , multiply by km + To convert animal dose in mg/kg to HED* in mg/kg, either: Divide animal dose by Multiply animal dose by Human 37 Mouse 3 12.3 0.08 Hamster 5 7.4 0.13 There are additional considerations in the design of FIH dose for molecular targeted anticancer compounds. Keywords: animal; approach; compounds; dose; drug; fih; human; mabel; safety; species; starting; studies; trial
• Synthesis and diverse biological activity profile of triethylammonium isatin-3-hydrazones by Bogdanov, Andrei; Tsivileva, Olga ; Voloshina, Alexandra ; Lyubina, Anna; Amerhanova, Syumbelya; Burtceva, Ekaterina; Bukharov, Sergey; Samorodov, Alexander; Pavlov, Valentin (2022) - The progressing number of works on synthetic procedures [3] and the studies of this heterocycle push researchers in this area to publish generalized data on one or another type of biological activity [4-7]. ADMET & DMPK 10(2) (2022) 163-179 Isatin-3-hydrazones: synthesis and biological activity doi: http://dx.doi.org/10.5599/admet.1179 165 N,N,N-Triethyl-2-hydrazinyl-2-oxoethanammonium bromide (1). Keywords: activity; cells; ch2; ch3; compounds; isatin; nmr; synthesis
• The extended clearance model and its use for the interpretation of hepatobiliary elimination data by Camenisch, Gian; Riede, Julia; Kunze, Annett; Huwyler, Jörg; Poller, Birk; Umehara, Kenichi (2015) - Keywords extended clearance concept classification system; hepatic elimination; passive permeability; transporters Extended clearance model Historically, hepatic clearance models assumed that (i) the unbound drug concentration in blood is determining the hepatic clearance (metabolism and/or biliary excretion) and that (ii) there is no membrane transport barrier limiting access to the enzymes or transporters in the hepatocyte. Hepatic versus non-hepatic elimination Figure 2 (panel C) illustrates the relationship between passive sinusoidal uptake (PSinf,pas) and the observed (in vivo) fractional contribution of hepatic clearance to overall drug elimination fnh. Keywords: class; clearance; compounds; drug; elimination; fig; hepatic; metabolism; psinf; sinusoidal
• Skin PAMPA: Application in practice by Sinkó, Bálint; Vizserálek, Gábor; Takács-Novák, Krisztina (2015) - Comparison of human skin permeability data measured by Franz cell vs Skin PAMPA data. Correlation between human skin permeability data of Full Validated dataset and Skin PAMPA data. Keywords: compounds; data; membrane; model; pampa; penetration; permeability; results; skin; skin pampa; study
• Encapsulated polycaprolactone with triazole derivatives and selenium nanoparticles as promising antiproliferative and anticancer agents by Abdelhamid, Ahmed El-Sayed; El-Sayed, Ahmed; Swelam, Samira A.; Soliman, Abdelmohsen M.; Khalil, Ahmed M. (2023) - Encapsulated polycaprolactone with triazole derivatives and selenium nanoparticles as promising antiproliferative and anticancer agents doi: https://doi.org/10.5599/admet.1789 561 ADMET & DMPK 11(4) (2023) 561-572; doi: https://doi.org/10.5599/admet.1789 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Encapsulated polycaprolactone with triazole derivatives and selenium nanoparticles as promising antiproliferative and anticancer agents Ahmed E. Abdelhamid1, Ahmed A. El-Sayed2,*, Samira A. Swelam2, Abdelmohsen M. Soliman3 and Ahmed M. Khalil2 1Polymers & Pigments Department, National Research Centre, El-Bohouth St., Dokki - 12622, Giza, Egypt 2Photochemistry Department, National Research Centre, 33 El-Bohouth St., Dokki - 12622, Giza, Egypt 3Therapeutic Chemistry Department, National Research Centre, 33 El-Bohouth St., Dokki - 12622, Giza, Egypt *Corresponding Author: E-mail: ahmedcheme4@yahoo.com; Tel.: +2-0100-865-3440 Received: March 27, 2023; Revised: June 20, 2023; Published: June 28,2023 Abstract Background and purpose: Polycaprolactone nanocapsules incorporated with triazole derivatives in the presence and absence of selenium nanoparticles were prepared and evaluated as antiproli- ferative and anticancer agents. Keywords: activity; anticancer; antiproliferative; cancer; cell; compounds; drug; figure; line; nanoparticles; pcl; polycaprolactone; selenium; senps; synthesis; triazole
• Antimalarial evaluation of alkyl-linked bis-thiadiazine derivatives in murine model infected with two Plasmodium strains by Loachamin Gualotuña, Katherine Stefania; Spencer, Lilian M.; Rodriguez Cabrera, Hortensia Maria; Montero Calderón, Renata Abigail; Pernía, Beatriz; Coro, Julieta; Suarez, Margarita; Tingo Jacome, Francisco Javier; Rodriguez Parra, Zully J.; Manuel Lozano, Jose; Cortés Vecino, Jesús (2023) - Conclusions: Our results show that the bis-THTT derivatives JH2 and JH4 presented effective parasitemia control in mice infected with P. berghei; JH5 and JH6 compounds have similar infection control results as chloroquine in mice infected P. yoelii strain. However, parasitemia from day 7 to day 13 post-infection constantly fluctuated between 10 and 20 %, suggesting that compound JH6 did not completely control the infection. Keywords: berghei; bis; chloroquine; compounds; control; derivatives; infection; jh2; jh4; jh5; jh6; malaria; mice; parasitemia; plasmodium; thtt; yoelii
• Propolis-loaded liposomes: characterization and evaluation of the in vitro bioaccessibility of phenolic compounds by Karadag, Ayse; Saroglu, Oznur (2024) - Meanwhile, in liposomal PE, the concentration of all phenolic compounds increased (Table 3). Physicochemical characteristics of liposome encapsulation of stingless bees’ propolis. Keywords: acid; amp; bioaccessibility; compounds; digestion; encapsulation; extract; food; journal; liposomal; liposomes; loading; pe2; phenolic; propolis; size; t80; values
• Modelling of chromatographic and electrophoretic behaviour of imidazoline and alpha adrenergic receptors ligands under different acid-base conditions by Oljacic, Slavica; Križman, Mitja; Popovic-Nikolic, Marija; Vovk, Irena; Nikolic, Katarina; Agbaba, Danica (2024) - [22-24]. Plots of observed vs. predicted values for compounds in the training and test sets in selected QSRR models are depicted in Figure 1. The values of molecular descriptors in selected QSRR models are listed in Table S3 . Keywords: adrenergic; compounds; descriptors; equation; experimental; imidazoline; ligands; log; matrix; mlr; mobility; model; pka; pls; qsmr; qsrr; retention; set; table; test; values
• Molecular properties, including chameleonicity, as essential tools for designing the next generation of oral beyond rule of five drugs by Garcia Jimenez, Diego; Vallaro, Maura; Vitagliano, Luigi; Lopez Lopez, Lucia; Apprato, Giulia; Ermondi, Giuseppe; Caron, Giulia (2024) - Key results: Molecular descriptors of ARV-110, ARV-471, and DT-2216 are reported and the main limitations of the applied experimental approaches are discussed. Chameleonicity should be introduced in the pool of bRo5 molecular properties It has been shown that a few bRo5 compounds have the ability to alter their conformations and molecular characteristics depending on the surrounding environment. Keywords: bro5; chameleonicity; chemistry; compounds; descriptors; discovery; drug; figure; iam; journal; lipophilicity; log; polarity; properties; protacs; water
• Antimicrobial and ADME properties of methoxylated, methylated and nitrated 2-hydroxynaphthalene-1 carboxanilides: Original scientific article by Vrablova, Lucia; Gonec, Tomas; Kauerova, Tereza; Oravec, Michal; Jendrzejewska, Izabela; Kollar, Peter; Cizek, Alois; Jampilek, Josef (2025) - Compound properties and drug quality. [22] C. Christ, A. Waldl, Y. Liu, L. Johnson, V. Auer, O. Cardozo, P. M. A. Farias, A. C. D. S. Andrade, A. Stingl, M. Himly, B. Punz, S. Li, G. Wang and Y. Li. Keywords: activity; carboxamide; carboxanilides; cf3; ch3; compounds; dmso; drug; figure; https://doi.org/10.5599/admet.2642; hydroxynaphthalene-1; j=8.7 hz; j=9.1 hz; log; nmr; properties
• Defining desirable natural product derived anticancer drug space: optimization of molecular physicochemical properties and ADMET attributes by Singh, Deepika (2016) - To determine excretion routes, natural products anticancer drugs and leads we quantitatively predicted the total clearance and qualitatively predicted renal OCT2 substrate. Abstract As part of our endeavor to enhance survival of natural product derived drug candidates and to guide the medicinal chemist to design higher probability space for success in the anti cancer drug development area, we embarked on a detailed study of the property space for a collection of natural product derived anti cancer molecules. Keywords: anticancer; candidates; compounds; drugs; hbd; lead; log; molecules; product; properties; toxicity; tpsa; yes
• Fluorescent organic cations for human OCT2 transporters screening: uptake in CHO cells stably expressing hOCT2 by Ugwu, Malachy C.; Pelis, Ryan; Esimone, Charles O.; Agu, Remigius U. (2017) - According to the authors, amiloride and 4-Di-1-ASP had significantly higher uptake rates in hOCT2 cells compared to wild type cells. Fluorescent organic cations for human OCT2 transporters screening: uptake in CHO cells stably expressing hOCT2 Malachy C. Ugwu1, 2, Ryan Pelis3, Charles O. Esimone2 & Remigius U. Agu1* 1 Biopharmaceutics and Drug Delivery Lab College of Pharmacy 5968 College Street, PO Box 15000, Halifax, NS B3H 4R2, CANADA 2 Department of Pharmaceutical Microbiology & Biotechnology Faculty of Pharmaceutical Sciences Nnamdi Azikiwe University, Near NAFDAC Zonal Lab, Agulu, Anambra State, Nigeria. Keywords: amiloride; cells; cho; compounds; drug; fluorescent; hoct2; rhodamine; transporters; uptake
• The tales of two organic cation transporters, OCT-1 and OCT-2, in Caenorhabditis elegans by Ramotar, Dindial (2017) - ADMET & DMPK 5(3) (2017) 146-158 OCT-1 and OCT-2 in Caenorhabditis elegans doi: 10.5599/admet.5.3.394 149 C. elegans as a model to facilitate studies on drug uptake transporters C. elegans has been chosen as the whole model system as it offers a multitude of advantages over mammalian cells to rapidly study many highly conserved biological processes [27]. Profiling SLCO and SLC22 genes in the NCI-60 cancer cell lines to identify drug uptake transporters, Mol Cancer Ther 7 (2008) 3081-3091. Keywords: animals; c. elegans; caenorhabditis; cancer; cation; cell; compounds; death; dna; downregulation; doxorubicin; drug; elegans; germ; human; oct-1; oct1; repair; transporters; uptake
• High throughput determination log Po/w/pKa/log Do/w of drugs by combination of UHPLC and CE methods by Cabot, Joan Marc; Subirats, Xavier; Fuguet, Elisabet; Rosés, Martí (2014) - MeCN % MeCN 0.0 min -> 0% 0.0 min -> 0% 0.5 min -> 0% 0.4 min -> 0% 3.0 min -> 100% 2.5 min -> 100% 3.5 min -> 100% 2.9 min -> 100% 3.7 min -> 0% 3.1 min -> 0% 4.5 min -> 0% 3.8 min -> 0% Injection volume and solvent 3 μL - MeCN/aqueous buffer 0.2 μL - DMSO Similarly to log Do/w scale, CHI values of acidic or basic compounds depend on the ionization degree. ADMET & DMPK 2(2) (2014) 98-106 High throughput determination of log Do/w doi: 10.5599/admet.2.2.44 101 Results and Discussion Measurement of CHIMeCN values by UHPLC The HPLC fast gradient method developed by Valkó and co-workers [3] was transferred to our UHPLC system taking into consideration the column and particle sizes, the flow rate, the injection volume, and the dwell time of the UHPLC instrument. Keywords: chi; compounds; determination; log; min; pka; values
• Evaluation of log Po/w values of drugs from some molecular structure calculation software by Pallicer, Juan M.; Rosés, Martí; Ràfols, Clara; Bosch, Elisabeth; Pascual, Rosalia; Port, Adriana (2014) - In order to discover the ADMET & DMPK 2(2) (2014) 107-114 Evaluation of log P values doi: 10.5599/admet.2.2.45 109 accuracy in used softwares, deviation obtained through experimental reference and predicted values are listed. In fact, all methods have a lower prediction power for extreme ranges of log Po/w values, ADMET & DMPK 2(2) (2014) 107-114 Evaluation of log P values doi: 10.5599/admet.2.2.45 111 being the range of compounds with log P higher than 5 where accuracy tends to be poorer. Keywords: acd; compounds; galas; log; logp; methods; set; values
• In silico ADME in drug design – enhancing the impact by Winiwarter, Susanne; Ahlberg, Ernst; Watson, Edmund; Oprisiu, Ioana; Mogemark, Mickael; Noeske, Tobias; Greene, Nigel (2018) - molecular weight Susanne Winiwarter et al. ADMET & DMPK 6(1) (2018) 15-33 22 Table 2. Predicted PK properties for compound set 1 [11] based on in silico ADME model predictions, plasma concentrations calculated for a once daily dose of 100 mg (1.4 mg/kg), sorted by threshold pIC50 cmpd IDa Cl bloodb (ml/min/kg) Using a set of drug discovery compounds, in silico predictions were utilized to compare the relative ranking based on minimum potency calculation with the outcomes from the selection of lead compounds. Keywords: adme; clearance; compounds; data; distribution; drug; human; model; pic50; plasma; set; silico; threshold; values; vitro; vivo; volume
• Lipophilicity determination of acidic compounds: MEEKC as a reliable high-throughput methodology by Subirats, Xavier; Redón, Lidia; Rosés, Martí (2018) - In addition, and this is maybe the most significant advantage over traditional chromatographic methods, MEEKC measurements can be accurately correlated with log Po/w without the need of molecular descriptors since ME are better surrogates of n-octanol/water systems than C18 stationary phases. Marti Rosés et al. ADMET & DMPK 6(2) (2018) 153-161 160 Conclusions In contrast to HPLC methods, MEEKC measurements can be accurately correlated with log Po/w without the additional need of molecular descriptors. Keywords: acid; compounds; determination; lipophilicity; log; meekc; model; set; values
• Estimation of skin permeation by liquid chromatography by Soriano-Meseguer, Sara; Fuguet, Elisabet; Port, Adriana; Rosés, Martí (2018) - Nonlinear quantitative structure- property relationship modeling of skin permeation coefficient. Estimation of skin permeation by liquid chromatography doi: 10.5599/admet.512 140 ADMET & DMPK 6(2) (2018) 140-152; doi: http://dx.doi.org/10.5599/admet.512 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Estimation of skin permeation by liquid chromatography Sara Soriano-Meseguer1, Elisabet Fuguet1,2, Adriana Port3, Martí Rosés1,* 1 Departament de Química Analítica i Institut de Biomedicina, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain 2 Serra Húnter Programme, Generalitat de Catalunya, 08002 Barcelona, Spain 3 ESTEVE, Parc Científic de Barcelona, Baldiri Reixac 4-8, 08028 Barcelona, Spain *Corresponding Author: E-mail: marti.roses@ub.edu; Tel.: Keywords: abraham; chemical; coefficient; compounds; equation; experimental; log; log kp; model; permeability; permeation; set; skin; values
• The role and impact of high throughput biomimetic measurements in drug discovery by Bunally, Shenaz; Young, Robert J (2018) - The role and impact of high throughput biomimetic measurements in drug discovery doi: 10.5599/admet.530 74 ADMET & DMPK 6(2) (2018) 74-84; doi: http://dx.doi.org/10.5599/admet.530 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Review The role and impact of high throughput biomimetic measurements in drug discovery Shenaz Bunally* and Robert J. Young* Drug Design & Selection, GlaxoSmithKline Medicines Research Centre, Stevenage, SG1 2NY, UK. Trellised plot of calculated vs measured Chrom log D7.4 for compounds in 6 distinct chemical series with lines of best fit and unity; the r 2 values illustrate the quality of the predictions S. Bunnally and R.J. Young ADMET & DMPK 6(2) (2018) 74-84 82 Conclusions The extensive use of high throughput biomimetic measurements impacts on the drug discovery process in many ways. Keywords: binding; compounds; data; discovery; drug; figure; hplc; lipophilicity; log; measurements
• Immobilized artificial membrane chromatography: from medicinal chemistry to environmental sciences by Tsopelas, Fotis; Stergiopoulos, Chrysanthos; Tsantili-Kakoulidou, Anna (2018) - As an alternative to using IAM retention factors, Valko has proposed the chromatographic hydrophobicity index for IAM chromatography, CHI(IAM) The applications of IAM chromatography to predict ADMET properties in pharmaceutical sciences Interactions between drugs and immobilized phospholipids, expressed in IAM retention, can serve as important indices for various processes, such as drug permeability and absorption (considering passive diffusion as the main process), tissue and subcellular distribution as well as toxicity due to functional and morphological changes in cells as for instance phospholipidosis. Keywords: chemistry; chromatography; compounds; drug; environmental; iam; iam chromatography; interactions; journal; kw(iam; log; membrane; model; pharmaceutical; phase; retention; stationary; toxicity
• Quantitative structure-activity relationship to elucidate human CYP2A6 inhibition by organosulfur compounds by Ramirez, Daniela Andrea; Marchevsky, Eduardo; Luco, Juan Maria; Camargo, Alejandra (2019) - The present work provides a better understanding of the mechanisms involved, with the final goal of providing information for the future design of CYP2A6 inhibitors based on dietary compounds. Numerous compounds have been proposed and tested as CYP2A6 inhibitors, among them methoxsalen, (R)-(+)-menthofuran, and tranylcypromine can be mentioned. Keywords: activity; analysis; compounds; cyp2a6; data; descriptors; equation; model; nicotine; qsar; ra%; study; values
• Revisiting the application of Immobilized Artificial Membrane (IAM) chromatography to estimate in vivo distribution properties of drug discovery compounds based on the model of marketed drugs by Valko, Klara Livia; Rava, Silvia; Bunally, Shenaz; Anderson, Scott (2020) - It has been found that IAM columns retain strongly positively charged compounds as the IAM columns are negatively charged on the surface similar to cell membranes [11-13]. Hence the aim was to establish new CHI (IAM) values for the system suitability test compounds that could be reproduced on the new batches of IAM columns. Keywords: binding; chi; columns; compounds; data; distribution; iam; iam columns; iam.pc.dd2; iam.pc.dd2 columns; log; values; volume
• Estimation of the octanol-water distribution coefficient of basic compounds by a cationic microemulsion electrokinetic chromatography system by Fernández-Pumarega, Alejandro; Martín-Sanz, Belén; Amézqueta, Susana; Fuguet, Elisabet; Rosés, Martí (2020) - The similarity between different systems can be determined by comparing the coefficients resulting from the characterization of the systems by the SPM. Nonetheless, when ionized basic compounds were analyzed, undesirable ion pairs were formed with the anionic surfactant and avoided a good estimation of log Do/w. For this reason, an alternative MEEKC system based on a cationic surfactant has been evaluated to estimate Po/w or Do/w of neutral compounds and ionized bases. Keywords: coefficients; compounds; estimation; log; meekc; octanol; partition; solute; system; ttab; values; water
• Optimization of experimental conditions for skin-PAMPA measurements by Soriano-Meseguer, Sara; Fuguet, Elisabet; Port, Adriana; Rosés, Martí (2020) - The reason for this is that PAMPA membranes are composed mostly of lipophilic components and hence lipophilic compounds can cross them quickly. Membrane retention values of the neutral form of the drugs, obtained from skin-PAMPA assays with and without stirring at different incubation times. Keywords: assay; compounds; conditions; incubation; log; membrane; pampa; permeability; permeation; skin; stirring; time; values
• Biomimetic properties and estimated in vivo distribution of chloroquine and hydroxy-chloroquine enantiomers by Valko, Klara Livia; Zhang, Tong (2021) - Compound name % HSA log k (HSA) Table 4 shows the measured phospholipid and protein binding data of the two compounds obtained using the standard 6 min protocol [26]. Keywords: agp; binding; chloroquine; compounds; data; distribution; doi; enantiomers; hcq; hsa; ipa; log; min; plasma; properties; protein

• Drug-like Properties and Fraction Lipophilicity Index as a combined metric by Tsantili-Kakoulidou, Anna; Demopoulos, Vassilis (2021) - Drugs beyond the drug-like limits Recently, there has been an increased interest in the development of drugs beyond the Rule of five (bRo5), especially in the area of oncology and direct-acting antivirals (DAA) Keywords drug-likeness; oral drugs; Fraction Lipophilicity Index; Rule of 5; Molecular weight; Polar atoms Introduction The role of physicochemical properties in controlling the fate of drug molecules within the organism and their binding to macromolecules has been well documented. Keywords: class; drugs; figure; fli; ionization; like; lipophilicity; log; range; values
• cΔlog kwIAM: can we afford estimation of small molecules’ blood-brain barrier passage based upon in silico phospholipophilicity? by Grumetto, Lucia; Russo, Giacomo (2021) - Log BB values were taken from the literature Relationships between log BB values and c/’log kw IAM.MG (A) and c/’log kw IAM.DD2 values (B). Keywords: bbb; brain; c/’log; data; drug; iam; kw iam; log; passage; silico; values
• Effect of divalent and trivalent metal ions on artificial membrane permeation of fluoroquinolones by Nakatani, Nanami; Sugano, Kiyohiko (2022) - In vitro – in vivo correlation of FQ – metal ion interaction Since metal ions can interact with phosphate and citrate ions, MES buffer was used in this study. Abstract The purpose of the present study was to evaluate the predictability of PAMPA for the effect of metal ions on the bioavailability of fluoroquinolones (FQ). Keywords: drug; effect; fqs; ions; log; membrane; metal; pampa; permeability; permeation; study
• Reversed phase parallel artificial membrane permeation assay for log P measurement by Song, Zihao; Terada, Katsuhide; Sugano, Kiyohiko (2016) - The purpose of the present study was to overcome the drawback of NP-PAMPA for log P measurement. A reversed phase PAMPA (RP-PAMPA) method for log P measurement was newly invented. Keywords: log; membrane; pampa; papp; phase; pka; water
• Physico-chemical Profiling of ACE-inhibitor Lisinopril: Acid-base Properties by Takács-Novák, Krisztina; Deák, Katalin; Béni, Szabolcs; Völgyi, Gergely (2013) - The initial ADMET & DMPK 1(2) (2013) 6-16 Lisinopril speciation doi: 10.5599/admet.1.2.3 9 estimates of log K values were obtained from Bjerrum difference plots ( n vs. pH, when n is the average number of bound protons) and were refined by a weighted non-linear least squares procedure using Refinement ProTM 2.2 software (Sirius Analytical Instr. Ltd. Forest Row, UK). The four obtained log K values along with the standard deviations calculated from three parallel titrations (3 x 15 points) are listed in Table 1. Keywords: chemistry; lisinopril; log; macroconstants; nmr; protonation; titration; values
• Multivariate analysis of hydrophobic descriptors by Dove, Stefan (2014) - Beginning with the work of Collander [9], the correlation of log P values from different solvent-water systems and the decomposition of log P into more fundamental molecular descriptors like solubility, surface fractions, polarizability and hydrogen-bond strengths have contributed to quantitative structure- property analysis (QSPR) of hydrophobic effects (for review, see [4, 10]). Whereas meta- para positional effects on X and X-differences of inert substituents were only marginal, X-values of hydrogen-bonding, electron-attracting or -releasing substituents depend significantly on the nature of the functional group Y. Thus, log P values of disubstituted benzenes XPhY are not simply the sum of log P (benzene), X and Y from the benzene system, but include interaction increments due to electronic effects. Keywords: analysis; hydrogen; hydrophobic; hydrophobicity; log; solvent; systems; values; water
• Evaluation of the interactions between human serum albumin (HSA) and warfarin or diflunisal by using molecular fluorescence using two approaches by Amézqueta, Susana; Bolioli, Anna Bolioli Maria; Beltrán, José Luis; Ràfols, Clara (2018) - Sudlow I or acidic drug binding site, and Sudlow II or benzodiazepine binding site. Sudlow I or acidic drug binding site, placed on subdomain IIA, and Sudlow II or benzodiazepine binding site, located on subdomain IIIA. Keywords: albumin; binding; diflunisal; drug; fluorescence; hsa; log; star; warfarin
• Feasibility of the estimation of octanol-water distribution coefficients of acidic drugs by microemulsion electrokinetic chromatography by Fernández-Pumarega, Alejandro; Amézqueta, Susana; Fuguet, Elisabet; Rosés, Martí (2018) - As log Po/w correlates with log kMEEKC for neutral compounds, this correlation has been used to estimate the logarithm of the octanol-water partition coefficient of the neutral (log Po/w(HA)), and the fully ionized (log P o/w(A-)) forms of naproxen. The equation of the calibration curve obtained and their statistics are as follows: log Po/w = 1.60 (±0.11)·log kMEEKC + 1.51 (±0.08) , R2=0.92; SD=0.33; n=20 , (4) as expected, Equation 4 shows a good correlation between log Po/w and log kMEEKC for neutral compounds, and it is very similar to Equations 1 and 2. Keywords: log; microemulsion; retention; water
• Block relevance (BR) analysis and polarity descriptors in property-based drug design by Ermondi, Giuseppe; Caron, Giulia (2018) - This was done for lipophilicity, permeability and polarity descriptors. [5] G. Ermondi, G. Caron, Molecular interaction fields based descriptors to interpret and compare chromatographic indexes. Keywords: analysis; block; descriptors; drug; fig; log; model; pls; polarity; properties; property
• Application of biomimetic HPLC to estimate lipophilicity, protein and phospholipid binding of potential peptide therapeutics by Valko, Klara Livia; Ivanova-Berndt, Gabriela; Beswick, Paul; Kindey, Mark; Ko, Dorothy (2018) - Peptide therapeutics are able to inhibit protein-protein interactions (PPI) and are opening up numerous PPI targets for peptides and macrocyclic large molecules that are outside the traditional drug property space as defined by the Lipinski rule of five [3]. Peptide therapeutics: Current status and future directions. Keywords: acids; amino; binding; brain; cell; chi; distribution; drug; hplc; iam; lipophilicity; log; peptides; phase; plasma; properties
• In vitro biomimetic HPLC and in vivo characterisation of GM6, an endogenous regulator peptide drug candidate for amyotrophic lateral sclerosis by Valko, Klara Livia; Kindy, Mark; Evans, James; Ko, Dorothy (2018) - The response of GM6 treatment on the GABAergic neurons was much more significant than on the hepatocytes, which suggested a specific affinity of GM6 to tissues of the nervous system and less so to the liver. In vitro biomimetic HPLC and in vivo characterisation of GM6, an endogenous regulator peptide drug candidate for amyotrophic lateral sclerosis doi: 10.5599/admet.547 176 ADMET & DMPK 6(2) (2018) 176-189; doi: http://dx.doi.org/10.5599/admet.547 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Keywords: als; binding; brain; cell; concentration; distribution; drug; gm6; hplc; human; log; min; peptide; plasma; protein; vivo

• Differential effects of mitogen-activated protein kinase pathway inhibitors on P-glycoprotein activation by Wakuda, Hirokazu; Miyauchi, Shino; Maruyama, Kana; Kagota, Satomi; Nakamura, Kazuki; Umegaki, Keizo; Yamada, Shizuo; Shinozuka, Kazumasa (2015) - Changes in the fluorescence of residual rhodamine 123, a marker of P-gp activity, in the apical region of Caco-2 cells were measured in the presence of MAPK pathway inhibitors using time-lapse confocal laser scanning microscopy at 0, 10, 20, 30, and 60 min. Significant differences were observed between the fluorescence levels of control cells and cells treated with SB203580 for 20, 30, or 60 min. In the present study, we evaluated the effects of MAPK pathway inhibitors (SB203580, competitive p38α and β inhibitor; CMPD-1, non-competitive p38α inhibitor; SB239063, competitive p38α and β specific inhibitor; SP600125, competitive JNK 1, 2, 3 inhibitor; FR180204, competitive ERK1/2 inhibitor) on the ADMET & DMPK 3(1) Keywords: activity; cells; inhibitor; mapk; p38; pathway; sb203580
• Expression and Transport of a-Synuclein at the Blood-Cerebrospinal Fluid Barrier and Effects of Manganese Exposure by Bates, Christopher A; Fu, Sherleen; Ysselstein, Daniel; Rochet, Jean-Christophe; Zheng, Wei (2015) - The changes in a-Syn signals in Z310 cells after Mn exposure may reflect a direct interaction of Mn with a- Syn. The data presented in this report suggest that 1) a-Syn is naturally expressed in choroid plexus tissues, particularly within epithelial cells; it is also present in the immortalized choroidal epithelial Z310 cell line; 2) treatment of plexus cells with Mn or Cu induces a-Syn accumulation within the BCB; 3) Mn exposure does not significantly alter a-Syn production at the transcriptional level; 4) in the test tube, incubation of a-Syn with Mn or Cu causes the aggregation of a-Syn; and 5) while Mn exposure does not affect the transport of a-Syn across the BCSFB monolayer, it increases a-Syn uptake by a primary culture of choroidal epithelial cells. Keywords: bcsfb; cells; chamber; choroidal; data; exposure; expression; fig; inner; mn exposure; plexus; study; syn; transport; z310
• The complexity of roles of P-glycoprotein in refractory epilepsy: Pharmacoresistance, epileptogenesis, SUDEP and relapsing marker after surgical treatment by Lazarowski, Alberto; Czornyj, Liliana; Rocha, Luisa (2015) - Consequently, how much time P-gp can be expressed in brain cells after an initial inducer insult? In these cases, multidrug-ABC-transporters expressed at blood brain barrier, brain tumor cells and tumor-surrounding cells, prevent the access of antiepileptic drugs into brain parenchyma, and patients develop a refractory phenotype. Keywords: abc; aeds; brain; cells; drug; epilepsy; expression; lazarowski; membrane; patients; refractory; seizures; transporters
• Perspectives on C. elegans models of human Parkinson’s Disease by Rudgalvyte, Martina; Wong, Garry (2015) - Synthetic medicinal chemistry approaches have also been used with C. elegans models providing an assay for novel compounds. Several recent reviews have dealt in detail with the contributions of Caenorhabditis elegans (C. elegans) models in understanding the development and progression, and role of genetic factors in PD Keywords: animals; c. elegans; cells; disease; elegans; intestine; models; neurons; studies
• Preparation of self-assembly silica redox nanoparticles to improve drug encapsulation and suppress the adverse effect of doxorubicin by Tang, Minh-Dat Quoc; Trinh, Nhu-Thuy; Vu, Dung; Nguyen, Thu-Ha Thi; Dong, Hung Thanh; Vo, Toi Van; Vong, Binh Long (2023) - DOX@RNP N and DOX@siRNP maintained anticancer activity of DOX against HepG2, and MCF-7 cells, while their cytotoxicity on L929 cells was significantly reduced compared to free DOX treatment. Moreover, the addition of silanol groups significantly improved the encapsulation of DOX and the stability of RNPN in gastric pH. Compared to free DOX treatment, the DOX@RNPN and DOX@siRNP showed ADMET & DMPK 11(4) (2023) 551-560 Drug encapsulation and suppress the adverse effect of doxorubicin doi: https://doi.org/10.5599/adme Keywords: cancer; cells; dox; dox@rnpn; dox@sirnp; doxorubicin; drug; figure; nanoparticles; nps; silica; size
• Prion protein and its interactions with metal ions (Cu2+, Zn2+, and Cd2+) and metallothionein 3 by Ruttkay-Nedecky, Branislav; Sedlackova, Eliska; Chudobova, Dagmar; Cihalova, Kristyna; Jimenez, Ana Maria Jimenez; Krizkova, Sona; Richtera, Lukas; Adam, Vojtech; Kizek, Rene (2015) - In the same way, the presence of MT-3 protein expression was verified (Fig. In this work the presence of both hPrPC and MT-3 protein expression in bacterial cells was verified using western-blot and dot-blot. Keywords: cells; coli; growth; hprpc; ions; metal; mt-3; prion; protein
• Supremacy of nanoparticles in the therapy of chronic myelogenous leukemia by Janani, Gopalarethinam; Girigoswami, Agnishwar; Girigoswami, Koyeli (2023) - In CML K562 cells, CuO-TiO2-Chitosan-Berbamine nanocomposites led to the death of cells in a dose-dependent way with an IC50 of 113.54 g/mL. By targeting members of the BCL-2 family (BAX and BCL-2) and raising the level of p53, they cause mitochondrial apoptosis Silver nanoparticles bring about cytotoxicity effect in CML cells Keywords: abl; bcr; blood; cancer; cells; cml; drug; girigoswami; gold; journal; k562; kinase; leukemia; myeloid; nanoparticles; therapy; treatment; tyrosine
• Modulation of the biocompatibility of collagen/polyelectrolyte semi-IPN hydrogels with Zn-bioMOFs by Caldera Villalobos, Martín; Claudio-Rizo, Jesús Alejandro; Cabrera-Munguía, Denis Aidée (2024) - Proliferation of RAW 264.7 cells RAW 264.7 cells stained with rhodamine B, cultured near semi-IPN hydrogels for 48 hours at 37 °C in a 5 % CO2 atmosphere, were examined using a VELAB VE-146YT fluorescence microscope equipped with a 40× objective. From the sigmoidal curves, it was observed that semi-IPN hydrogels are completely formed after 50 min (plateau stage). Keywords: biocompatibility; biomofs; cells; collagen; composite; figure; healing; his)2; https://doi.org/10.5599/admet.2074; hydrogels; l-1; metal; polyelectrolyte; process; zif-8h; zn(l
• Enhancing encapsulation of filarial antigen Brugia malayi thioredoxin in nano-liposomes: The role of lecithin composition by Balasubramaniyan, Malathi; Vinayagam, Vimalraj; Jacob Kizhakedathil, Moni Philip; Perumal, Kaliraj (2023) - This results in better distribution of the aqueous phase and, thereby, amplifying protein encapsulation. The presence of an optimised cholesterol level led to higher liposome stability, thereby lowering antigen release. Keywords: antigen; brugia; cells; cholesterol; encapsulation; epitopes; immune; liposomes; malayi; mhc; nano; non; protein; release; server; thioredoxin; trx
• Beneficial effects of bioinspired silver nanoparticles on zebrafish embryos including a gene expression study by R, Sakthi Devi; Girigoswami, Agnishwar; Meenakshi, Shanmugaraja; Deepika, Balasubramanian; Harini, Karthick; Gowtham, Pemula; Pallavi, Pragya; Girigoswami, Koyeli (2024) - Conclusions The lower toxic species of silver nanoparticles concentration is studied in in vitro and in vivo. Zebrafish embryo toxicity study The wild-type female and male zebrafish (Danio rerio) were cultured in separate rectangular glass tanks and the adult fishes were maintained at 25 ± 2 °C with a water pH 7.0. Keywords: agnps; cancer; cells; concentration; embryos; figure; gene; girigoswami; green; hatchability; nanoparticles; silver; toxicity; zebrafish
• Cerium oxide nanoparticles-assisted aptasensor for chronic myeloid leukaemia detection by Nur, Yuspian; Yeni Wahyuni Hartati; Muhammad Ihda HL Zein; Irkham, Irkham; Gaffar, Shabarni; Subroto, Toto (2024) - Schematic illustration of CeO2-NPs modified aptasensor for K562 cell detection. The detection limit of the aptasensor in this study is quite low compared to several studies for K562 cell detection, which can be seen in Table 3. Keywords: aptamer; aptasensor; carbon; cells; ceo2; cerium; current; detection; electrode; incubation; k562; k562 cells; kk1d04; nanoparticles; nps; oxide; response; spce; time; value
• Targeting hexokinase 2 to enhance anticancer efficacy of trichosanthin in HeLa and SCC25 cell models: Original scientific article by Tam, Kin; Ran, Maoxin; Shan, Wenying; Wang, Kaifang; Sha, Ou; Zhou, Yan (2024) - (e) Evaluating the cell growth inhibition of combined TCS and Benz treat- ment in HeLa and SCC25 cancer cells compared to normal fibroblasts. This metabolic reprogramming enables cancer cells to sustain their energy demands and support rapid proli- feration [4,5]. Keywords: anticancer; benz; cancer; cells; combination; drug; effects; figure; glycolysis; hela; hexokinase; hk2; protein; results; scc25; scc25 cells; tcs; treatment; trichosanthin; tumour
• Transport of six tyrosine kinase inhibitors: active or passive? by Honeywell, Richard J.; Hitzerd, Sarina; Kathmann, Ietje; Peters, Godefridus J. (2016) - [22] Da Silva, C. G.; Honeywell, R. J.; Dekker, H.; Peters, G. J. Physicochemical Properties of Novel Protein Kinase Inhibitors in Relation to Their Substrate Specificity for Drug Transporters. Cellular accumulation was normalized to cell protein amount. Keywords: accumulation; apical; basolateral; caco-2; cells; crizotinib; dasatinib; desipramine; erlotinib; gefitinib; hoct; sorafenib; sunitinib; transport; verapamil
• Pharmacogenetic profiling and metabolic activity of human embryonic stem cell derived hepatocytes: focus on CYP450-mediated oxidation by Voellinger, Jenna L.; Kelly, Edward J. (2016) - SCDH activity, n = 6; primary hepatocyte activity, n = 2. LLOQ = lower limit of quantitation LLOQ (μM) SCDH activity (pmol/min/10 6 cells) One potential method that may enhance SCDH differentiation includes the use of small molecules in place of less chemically defined proteins. Keywords: activity; c c; cells; cyp2d6; differentiation; drug; enzymes; expression; figure; g g; gene; heparg; hepatocytes; human; lines; liver; liver tissue; metabolism; results; scdhs; stem; t c; t g; t t; tissue
• Elucidating CYP2D6-driven metabolism and hepatotoxic bioactivation of metoprolol in plateable human and animal hepatocytes: Original scientific paper by Pu, Jiang; Yang, Mei; Zhang, Min; Gao, Ruiqi; Xiao, Yue; Liu, Lingyu; Zhang, Chuanjing; Xu, Wennuo; Li, Kaifang; Feng, Wanyong (2025) - These values are significantly below the 10 mL min-1 kg-1 threshold for low-clearance compounds and align well with previously reported [20,54] with a low clearance of 2.2 ± 0.7 μL min-1 per million cells in plateable human hepatocytes, correlating with an in vivo clearance of 1.4 mL min-1 kg-1 [20] (or 4.28 μL min-1 per million cells [73]), making the plateable hepatocytes particularly valuable for evaluating low-clearance compounds [74]. Human plateable hepatocytes maintained functional cytochrome P450 enzymes and accurately recapitulated metabolism mediated by human recombinant CYP2D6 enzymes, with principal metabolites exhibiting comparable relative abundance profiles (M10, M13, and M17). Keywords: cells; clearance; cyp2d6; disposition; drug; drug metabolism; enzymes; hepatocytes; human; ion; ions; metabolism; metabolites; metoprolol; min; plateable; rat; vitro
• Cross talk of c-Jun N-terminal kinase and p38 map kinase modulate insulin and TNFα-stimulated VCAM-1 expression in rat aorta endothelial cells by Pott, Gregory B.; Tsurudome, Mark; Bui, Jamie; Gardner, Chelsea; Goalstone, Marc Lee (2016) - A decrease in both JNK and p38 causes a significant increase in cell surface VCAM-1 expression greater than that seen in JNK KD cells alone. These possible scenarios would account for the differences seen in insulin-stimulated VCAM-1 expression in JNK KD cells versus p38 KD cells. Keywords: cells; expression; insulin; jnk; kinase; p38; shjnk; shp38; surface; tnfα; vcam-1
• Tyrosine and aurora kinase inhibitors diminish transport function of multidrug resistance-associated protein (MRP) 4 and breast cancer resistance protein (BCRP) by Hardwick, Rhiannon N.; Snellings, Marina; Ferslew, Brian C.; Lu, Yang; Browuer, Kim L.R. (2016) - Several compounds ascribed as BCRP inhibitors were assessed for their potential as positive controls in the membrane vesicle inhibition assay. Others have reported an IC50 of 0.6 µM for sulfasalazine-mediated inhibition of 3 H-estrone-3-sulfate uptake in BCRP membrane vesicles derived from HEK-BCRP cells [37]. Keywords: akis; bcrp; cells; control; drug; ic50; inhibition; inhibitors; kinase; membrane; mrp4; potential; tki; transport; uptake; vesicles
• Cellular energy status is indispensable for perillyl alcohol mediated abrogated membrane transport in Candida albicans by Ansari, Moiz A.; Fatima, Zeeshan; Hameed, Saif (2017) - We found that cellular transport across cell membrane was abrogated in presence of PA. From these observations, one may also speculate that enhanced membrane permeability due to PA could cause dissipation of ionic gradient across cell membrane leading to membrane depolarization, however, further work is needed to confirm. Keywords: albicans; cells; concentration; figure; membrane; transport
• The function and regulation of PD-L1 in immunotherapy by Guo, Libin; Lin, Yao; Kwok, Hang Fai (2017) - B7-h1 expression on non-small cell lung cancer cells and its relationship with tumor-infiltrating lymphocytes and their PD-1 expression, Clin Cancer Res 10 (2004) 5094-5100. This structure shows two main anti-parallel β sandwich immunoglobulin superfamily (Ig SF) domains of PD=L1 protein. Keywords: activation; blockade; cancer; cells; function; human; immune; immunotherapy; interaction; l1 expression; pathway; patients; pd-1; protein; regulation; t cell; tumor
• Permeability evaluation of gemcitabine-CPP6 conjugates in Caco-2 cells by Ferreira, Abigail ; Moreira, Sara; Lapa, Rui; Vale, Nuno (2020) - Cells were seeded in the apical side (0.5 mL of cells per well, cell density of 4.0 x 105 cells/mL). Following 72 h incubation, cell medium was removed and 100 μL of MTT (3- (4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) solution were added per well. Keywords: basolateral; cells; compartment; conjugates; cpp6; drug; gemcitabine; medium; monolayer; permeability
• Current state and future of 3D bioprinted models for cardio-vascular research and drug development by Polonchuk, Liudmila; Gentile, Carmine (2021) - This article aims at providing an overview about the most commonly used bioengineered tissues, focusing on 3D bioprinted cardiac cells and how they have been utilized for drug discovery and development. It also describes the role played by regulatory agencies and potential commercialization pathways for direct translation from the bench to the bedside of studies using 3D bioprinted cardiac tissues. Keywords: bioprinted; bioprinting; cardiac; cardiovascular; cells; development; drug; engineering; gentile; heart; human; models; research; tissue; vitro

• Recent advances in nanoparticles as antibacterial agent by Ozdal, Murat; Gurkok, Sumeyra (2022) - [20] S.Tiwari, S. B. Jamal, S. S. Hassan, P. Carvalho, S. Almeida, D. Barh, P. Ghosh, A. Silva, T. L. P. Castro, V. Azevedo. In the light of increasing research in the field of nanomedicine, new uses of antibacterial nanoparticles will be revealed. Keywords: aeruginosa; agnps; antibiotics; aureus; bacteria; biofilm; cell; coli; effects; formation; gram; mechanisms; membrane; nanoparticles; nps; oxide; properties; resistance; silver; surface
• Development of conducting paper-based electrochemical biosensor for procalcitonin detection by Gupta, Yachana; Ghrera, Aditya Sharma (2023) - Conducting paper based sensor for cancer biomarker detection. The Energy dispersive X-ray analysis (EDAX) spectra of AuNPs incorporated PEDOT:PSS composite is shown in Figure. Keywords: anti; aunp; bioelectrode; biosensor; bsa; cfp; composite; current; detection; electrochemical; electrode; figure; nanoparticles; paper; pct; pedot; procalcitonin; pss
• The optimization of electrochemical immunosensors to detect epithelial sodium channel as a biomarker of hypertension by Hanifa Lestari, Tias Febriana; Setiyono, Riyanto; Tristina, Nina; Sofiatin, Yulia; Hartati, Yeni Wahyuni (2023) - The detection of ENaC protein using anti-ENaC in the biosensor system has been optimized with the Box-Behnken experimental design. ADMET & DMPK 11(2) (2023) 211-226 220 Morphological characterization of ENaC immunosensors with a scanning electron microscope SPCE surfaces before and after being modified with gold nanoparticles were characterized using SEM. Keywords: anti; carbon; concentration; current; cysteamine; electrochemical; electrode; enac; glutaraldehyde; gold; hypertension; immunosensor; nanoparticles; protein; response; sodium; solution; spce; surface
• Determination of salicylic acid content in pharmaceuticals using chitosan@Fe3O4/CPE electrode detected by SWV technique by Pitakrut, Sudarut; Sanchayanukun, Phetlada; Muncharoen, Sasithorn (2023) - It was discovered that the optimum conditions were a two- linearity range of SA determination, 1-100 and 100-400 M. [19] for SA determination in wart treatment pharmaceuticals. Keywords: acid; carbon; chitosan@fe3o4; cpe; determination; electrode; figure; nanoparticles; salicylic
• CuFe2O4 nanoparticles-based electrochemical sensor for sensitive determination of the anticancer drug 5-fluorouracil by Mohammadzadeh Jahani, Peyman; Jafari, Maedeh; Nazari Ravari, Farhad (2023) - Keywords Modified electrode; 5-fluorouracil; CuFe2O4 nanoparticles; voltammetriy; electrochemical sensor; SPE Introduction Cancer is a class of diseases characterized by out-of-control cell growth. https://doi.org/10.1016/j.molliq.2021.115768 [9] P. R. S. Teixeira, A. S. D. N. M. Teixeira, E. A. D. O. Farias, E. C. da Silva Filho, H. N. da Cunha, J. R. dos Santos Júnior, C. Eiras. Keywords: carbon; cufe2o4; detection; determination; electrochemical; electrode; figure; fluorouracil; journal; nanoparticles; nps; sensor; spge
• Polyvinyl alcohol nanoparticles loaded with propolis extract: Fabrication, characterization and antimicrobial activity: Original scientific paper by Subaşı-Zarbaliyev, Benazir; Kutlu, Gozde; Törnük, Fatih (2023) - Sample name Polydispersity index Mean particle size, nm ζ-potential, mV Encapsulation efficiency, % DPPH scavenging activity, % PVA-N0 0.23 ± 0.16bc 106.37 ± 14.84c 3.09±0.50a - 0.00 ± 0.00d PVA-N1 0.32 ± 0.16ab 137.17 ± 61.82b 2.77±0.29a 5.09 ± 0.37d 78.13 ± 0.43c PVA-N2 0.22 ± 0.03c 186.75 ± 8.27b -0.24±0.06b 19.43 ± 1.16b 85.09 ± 2.82b PVA-N3 0.42 ± 0.12a 258.51 ± 90.51a -2.44±1.27b 25.32 ± 0.32a 87.32 ± 0.21a PVA-N4 0.48 ± 0.08a 249.33 ± 41.40b -0.11±0.10b 18.15 ± 0.26c 89.25 ± 1.22a ζ-potential: surface charge, PVA: polyvinyl alcohol, PVA-N0: neat PVA nanoparticles, PVA-N1: PVA nanoparticles loaded with propolis in the ratio of 0.4 %, PVA-N2: PVA nanoparticles loaded with propolis in the ratio of 0.8 %, and PVA-N3: PVA nanoparticles loaded with propolis in the ratio of 1.0 %, and PVA-N4: PVA nanoparticles loaded with propolis in the ratio of 1.2 %. Sample Control PVA-N0 PVA-N1 PVA-N2 PVA-N3 PVA-N4 E. coli 8.20 ± 0.10a 8.52 ± 0.09a 8.15 ± 0.17b 8.25±0.11b 8.03 ± 0.19c 8.12 ± 0.09b S. aureus 8.24 ± 0.08a 8.06 ± 0.07a 4.37 ± 0.33b 0.00 ± 0.00c 0.00 ± 0.00c 0.00 ± 0.00c cfu: colony-forming units, PVA: polyvinyl alcohol, PVA-N0: neat PVA nanoparticles, PVA-N1: PVA nanoparticles loaded with propolis in the ratio of 0.4 %, PVA-N2: PVA nanoparticles loaded with propolis in the ratio of 0.8 %, and PVA-N3: PVA nanoparticles loaded with propolis in the ratio of 1.0 %, and PVA-N4: PVA nanoparticles loaded with propolis in the ratio of 1.2 %.a-d: Means followed by the same lowercase letters in the same line indicates that there was no statistical difference at the 5 % significance level applying- test between the tested samples. Keywords: activity; efficiency; electrospraying; encapsulation; extract; food; nanoparticles; nps; potential; propolis; pva; pva nanoparticles; ratio; size; solution; values
• Green synthesis, characterization and biological activities of silver nanoparticles synthesized from Neolamarkia cadamba by Maheswari, Juluri; Reshma Anjum, Mohammed; Sankari, Mohan; Narasimha, Golla; Krishna, Suresh Babu Naidu; Kishori, Battini (2023) - Anomalous salting-out, self-association and pKa effects in the practically-insoluble bromothymol blue doi: https://doi.org/10.5599/adme t.1793 573 ADMET & DMPK 11(4) (2023) 573-585; doi: https://doi.org/10.5599/admet.1793 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Green synthesis, characterization and biological activities of silver nanoparticles synthesized from Neolamarkia cadamba Juluri Maheswari1, Mohammed Reshma Anjum1, Mohan Sankari1, Golla Narasimha2, Suresh Babu Naidu Krishna3* and Battini Kishori1 1Department of Biotechnology, Sri Padmavati Mahila Visvavidyalayam (Women’s University) , Tirupati- 517 502, A.P. India 2Department of Virology, Sri Venkateswara University, Tirupati- 517 502, A.P. India 3Institute for Water and Wastewater Technology, Durban University of Technology, Durban – 4000, South Africa *Corresponding authors: *kktinku@redifmail.com; sureshk@dut.ac.za; Tel.: Experimental approach: In the present study, the aqueous extracts prepared from the leaf, stem, bark, and flower of Neolamarkia cadamba were used for the synthesis of silver nanoparticles. Keywords: activity; agnps; antibacterial; bark; cadamba; crude; extracts; figure; flower; leaf; nanoparticles; silver; stem; synthesis
• Antibody-labelled gold nanoparticles synthesized by laser ablation to detect SARS-CoV-2 antigen spike by Sulfianti, Asri; Tiara Sopandi, Vidhia; Isnaeni, Isnaeni; Suryanggono , Jodi; Pambudi, Sabar; el Muttaqien , Sjaikhurrizal; Nurdiya Ningsih , Febby; Widayanti , Tika; Mardliyati, Etik; Annisa, Annisa (2023) - The sandwich format will display the competitive reaction between commercial anti-spike and AuNPs labelled anti-spike monoclonal antibodies in capturing different antigen epitopes in a sample. The sandwich format will demonstrate the competitive interaction between commercial anti-spike and AuNPs labelled anti-spike monoclonal antibodies to confirm the functionality of this conjugation. Keywords: ablation; antibodies; antibody; antigen; aunps; control; cov-2; detection; figure; gold; https://doi.org/10.5599/admet.2079; laser; lfia; mab; monoclonal; nanoparticles; protein; sars; spike; surface; test
• Frontiers of stem cell engineering for nanotechnology-mediated drug delivery systems by Yeşilkır Baydar, Serap; Ay, Hatice Feyzan; Cakir Koc, Rabia (2024) - Stem cells and stem cell membranes can be used directly in the drug delivery system, and extracellular vesicles and exosomes derived from stem cells are also of big interest because of their small size, high drug-loading efficiency and long half- life [3]. In addition to the use of stem cells, the utilisation of their membranes, secretomes, exosomes and extracellular vesicles with an appropriate nanotechnology strategy is also an aspect of the research. Keywords: applications; cancer; cell; delivery; drug; drug delivery; effects; engineering; mesenchymal; msc; nanoparticles; nanotechnology; nps; stem; stem cell; systems; therapy; treatment
• Tuneable carbon dots coated iron oxide nanoparticles as superior T1 contrast agent for multimodal imaging: Original scientific arfticle by Thirumalai, Anbazhagan; Sharmiladevi, Palani ; Girigoswami, Koyeli ; Prabhu, Alex Daniel ; Girigoswami, Agnishwar (2025) - Magnetic iron oxide nanoparticles as T 1 contrast agents for magnetic resonance imaging. Recent research indicates that magnetic iron oxide NPs are significantly more effective than Gd-DTPA as relaxation agents and possess advantageous magnetic behaviour Keywords: acid; carbon; cds@fe2o3; citric; concentration; contrast; figure; girigoswami; imaging; iron; iron oxide; nanoparticles; nps; oxide; samples; surface; synthesis
• Monolayer graphene/platinum-modified 3D origami microfluidic paper-based biosensor for smartphone-assisted biomarkers detection: Original scientific article by Putra, Arda Fridua; Ningrum, Annisa Septyana; Suyanto, Suyanto; Pratiwi, Vania Mitha; Widianto, Muhammad Yusuf Hakim ; Irkham, Irkham; Wahyuni, Wulan Tri; Rahmawati, Isnaini; Wang, Fu-Ming; Huang, Chi-Hsien; Wahyuono, Ruri Agung (2025) - Based on these findings, FeCl3 and phenanthroline are most suitable for dopamine detection, while resazurin is the preferred reagent for NADH detection. NADH detection utilizes the mechanism of NADH oxidation in which a hydrogen ion is released and used to reduce the blue-coloured resazurin, resulting in the formation of NAD+ and resorufin, exhibiting a magenta-pink colour [32]. Keywords: biomarkers; colour; detection; dnp; dopamine; fecl3; figure; graphene; https://doi.org/10.5599/admet.2833; microfluidic; nadh; nanoparticles; paper; phenanthroline; resazurin; results; µpad

• ProAll-D: protein allergen detection using long short term memory - a deep learning approach by M Shanthappa, Pallavi; Kumar, Rakshitha (2022) - So, LSTM has been considered for protein allergen prediction. 231 ADMET & DMPK 10(3) (2022) 231-240; doi: https://doi.org/10.5599/admet.1335 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper ProAll-D: protein allergen detection using long short term memory - a deep learning approach Pallavi M. Shanthappa*, Rakshitha Kumar* Department of Computer Science, Amrita School of Arts and Sciences, Mysuru Campus, Amrita Vishwa Vidyapeetham, India *Corresponding Authors: E-mail: palls.ms@gmail.com; rakshitha.k.k1999@gmail.com. Keywords: allergenicity; allergens; analysis; classification; classifier; cross; learning; lstm; model; prediction; protein; sequence
• Development and application of a simple physiologically based pharmacokinetic model that quantitatively describes the distribution and elimination of the commonly measured proteins by Levitt, David G.; Levitt, Michael D. (2023) - Comparison of PK physiological protein model (line) for ALT bolus IV injection versus experimental data (solid circles) in dog. From the medical care standpoint, the important question is to what extent can alterations in these normal distribution and elimination kinetics produce clinically relevant but frequently unrecognized changes in plasma protein concentrations. Keywords: albumin; alkaline; compartment; concentration; data; dog; figure; fit; following; human; levitt; liver; lymph; model; parameters; phosphatase; plasma; protein; table; time; tissue
• Electronic tongue for determining the limit of detection of human pathogenic bacteria by Abu Rumaila , Aya; Abu Rumaila, Basima; Masoud , Wafa; Ruiz-Canales , Antonio; Abu-Khalaf, Nawaf (2023) - The research investigated using Astree II Alpha MOS ET to determine the limit of early detection and diagnosis of food- borne human pathogenic bacteria and to recognize unknown bacterial samples relying on pre-stored models. The measured data were analysed by principal component analysis (PCA) and followed by projecting unknown bacterial samples (at specific concentrations and time of incubation) to examine the recognition ability of the ET. Keywords: abu; bacteria; dilution; e.coli; figure; food; incubation; lod; model; s.aureus; samples; tongue
• Adaptation of a human gut epithelial model in relation to the assessment of clinical pharmacokinetic parameters for selected tyrosine kinase inhibitors by Honeywell, Richard; Fatmawati, Christien; Buddha, Marita; Hitzerd, Sarina; Kathman, Ietje; Peters, Godefridus (2015) - Drug transport between cellular compartments involves bidirectional processes. The Caco-2 cell monolayer transwell system with a 3-day culture system proved to be very adaptable to study drug transport and will be very useful to investigating the role of drug transporters using a blocker like probenecid (blocker of ABCC) and verapamil (blocker of ABCB1), that would contribute important overview of drug transporters involved in transport of TKIs. Keywords: addition; apical; basolateral; cell; compartment; drug; erlotinib; gefitinib; ko143; medium; model; monolayer; nan3; system; transport
• A Trend Model for Alzheimer’s Mortality by Hallberg, Örjan (2015) - The age-specific rates reported, as well as those calculated using the same parameters used in calculating age standardized mortalities (Figure 2, Table 1), are shown in Figure 3. Experimental Data on reported mortality due to Alzheimer’s disease (AD) were retrieved from the National Board of Health and Welfare in Sweden. Keywords: age; exponential; model; mortality; rates
• Impact of lactoferrin supplementation on cotrimoxazole pharmacokinetics: A preliminary clinical investigation by Notario, Dion; Munzir, Angela Marietha; Novella, Yulina; Hananta, Linawati (2024) - https://doi.org/10.1371/journal.pone.0224106 [2] S.W. Ku, A. Jiamsakul, K. Joshi, M.K.U. Pasayan, A. Widhani, R. Chaiwarith, S. Kiertiburanakul, A. Avihingsanon, P.S. Ly, N. Kumarasamy, C.D. Do, T.P. Merati, K. van Nguyen, A. Kamarulzaman, F. Zhang, M.P. Lee, J.Y. Choi, J. Tanuma, S. Khusuwan, B.L.H. Sim, O.T. Ng, W. Ratanasuwan, J. Ross, W. Wong, P. Ly, V. Khol, F. Zhang, H. Zhao, N. Han, M. Lee, P. Li, W. Lam, Y. Chan, N. Kumarasamy, S. Saghayam, C. Ezhilarasi, S. Pujari, K. Joshi, S. Gaikwad, A. Chitalikar, S. Sangle, V. Mave, I. Marbaniang, D. Wirawan, F. Yuliana, E. Yunihastuti, D. Imran, A. Widhani, J. Tanuma, S. Oka, T. Nishijima, J. Choi, N. S, J. Kim, B. Sim, Y. Gani, N. Rudi, A. Kamarulzaman, S. Syed Omar, S. Ponnampalavanar, I. Azwa, R. Ditangco, M. Pasayan, M. Mationg, W. Wong, S. Ku, P. Wu, O. Ng, P. https://doi.org/10.5599/admet.2358 https://doi.org/10.1371/journal.pone.0224106 D. Notario et al. ADMET & DMPK 12(3) (2024) 543-551 550 Lim, L. Lee, Z. Ferdous, A. vihingsanon, S. Gatechompol, P. Phanuphak, C. Phadungphon, S. Kiertiburanakul, A. Phuphuakrat, L. Chumla, N. Sanmeema, R. Chaiwarith, T. Sirisanthana, W. Kotarathititum, J. Praparattanapan, S. Khusuwan, P. Kantipong, P. Kambua, W. Ratanasuwan, R. Sriondee, K. Nguyen, H. Bui, D. Nguyen, D. Nguyen, C. Do, A. Ngo, L. Nguyen, A. Sohn, J. Ross, B. Petersen, D. Cooper, M. Law, A. Jiamsakul, D. Rupasinghe. Keywords: cotrimoxazole; drug; elimination; lactoferrin; model; pharmacokinetics; rate; sulfamethoxazole; trimethoprim; urine
• Pharmacokinetics/pharmacodynamics of glucocorticoids: modeling the glucocorticoid receptor dynamics and dose/response of commonly prescribed glucocorticoids: Original scientific article by Levitt, David (2024) - Time course of labeled [3H]dexametha- sone tightly bound to nuclear GR receptor following a cold chase with a 200-fold excess of unlabeled dexamethasone. Glucocorticoid receptor kinetic model. Keywords: activity; concentration; cortisol; dex; equation; figure; glucocorticoid; k k; line; low; model; rate; receptor; state; table; time
• What matters for drug delivery to tumor by nanoparticles: Gaining insights from PBPK/PD simulation of drug nanocrystals by Lu, Shan; Corpstein , Clairissa; Park, Kinam; Li, Tonglei (2024) - Abstract Background and purpose: In our previous studies, drug nanocrystals were directly prepared by solution crystallization, possessing uniform particle size and morphology suitable for intravenous (IV) injection. Surface treatment of drug nanocrystals with polymeric surfactants also appeared to affect PK profiles and PD outcomes. Keywords: blood; clearance; delivery; drug; flow; humans; liver; mice; model; nanocrystals; organ; partition; ptx; treatment; tumor
• Dose optimization of ceftriaxone-vancomycin combination using fractional inhibitory concentration kinetics in resistant bacteria by Sharma, Vishnu Dutt; Singla, Aman; Chaudhary, Manu; Kumar, Mukesh; Bhatnagar, Anuj; Kumar, Shailesh; Taneja, Manish (2016) - However, strains corresponding to MIC of 16, 32 and 64 µg/mL required large amount of FDC dose (>9g) to attain moderate PTA (Figure 7a). Pre and post FDC exposure, MICs were determined for evaluating any changes in MICs due to FDC exposure. Keywords: ceftriaxone; day; dose; drug; effect; fdc; figure; mic; model; vancomycin; vitro
• Development of a biorelevant dissolution method for inhalation products: Proof of concept using drugs with diverse solubilities: Original scientific article by Elezović, Amar; Cvijić, Sandra; Pilipović, Saša; Elezović, Alisa; Parojčić, Jelena (2025) - Distribution of aerodynamic size of SX particles The differences in MMAD and GSD were more pronounced in SX than in BDP products (Table 1). Additionally, using this approach, the cp-t curve can be derived for new BDP inhalation products based on their biopharmaceutical properties, thus generating sufficient data to examine possible correlations. Keywords: absorption; bdp; differences; dissolution; dissolution method; drug; figure; inhalation; inhalation products; membrane; method; model; particles; products; profiles; rate; release; results; substance; table; test; testing; vivo
• ROCK inhibitors in ocular disease by Halasz, Eva; Townes-Anderson, Ellen (2016) - During the succeeding decades ROCK inhibitors have been applied in many pathological conditions from central nervous system disorders to cardiovascular disease as potential therapeutic agents or experimental tools to help understand the underlying (patho)mechanisms. Keywords Rho kinase; corneal endothelial wound healing; glaucoma; diabetic retinopathy; retinal detachment Introduction In the past few years, ROCK inhibitors have undergone considerable structural, physico-chemical and pharmacokinetic development. Keywords: cell; disease; drug; endothelial; et al; eye; fasudil; glaucoma; inhibitors; model; ophthalmol; phase; ripasudil; rock; rock inhibitors; sci; y27632
• A physiologically-oriented mathematical model for the description of in vivo drug release and absorption by Del Cont, Renzo; Abrami, Michela; Hasa, Dritan; Perissutti, Beatrice; Voinovich, Dario; Barba, Anna; Lamberti, Gaetano; Grassi, Gabriele; Colombo, Italo; Manca, Davide; Grassi, Mario (2014) - In vivo drug release and absorption doi: 10.5599/admet.2.2.34 89 Finally, it is worthwhile underlying that, based on the PK parameters set in Table 1, the time evolution of drug concentration in the CIGS (CGICS) and in the liver (CL) is substantially equal to that of Cp. In addition, we are convinced that the new challenge in the drug delivery field, for mathematical modelling, is to combine of mechanistic theories able to realistically describe the simultaneous processes of drug release and the subsequent ADME processes within the human body [7,8]. Keywords: absorption; c c; cm3; concentration; delivery; drug; environment; model; particles; plasma; release; solvent; time; tissues
• Utilizing in vitro transporter data in IVIVE-PBPK: an overview by Mallick, Pankajini (2017) - Keywords Pgp; Bile acid transporter; Drug transporters; Drug metabolizing enzymes; Drug induced liver injury Introduction The role of drug transporters in drug efficacy and safety has been of much interest; drug transports play key roles in drug absorption, distribution, and excretion Drug transporters can influence drug pharmacokinetics and are key aspects contributing to the development of a successful drug. Keywords: absorption; acid; bile; brain; data; development; drug; drug transporters; human; liver; metabolism; model; pbpk; prediction; transporters; vitro; vivo
• PKQuest: PBPK modeling of highly lipid soluble and extracellular solutes by Levitt, David G. (2019) - This same set of PBPK organ parameters is also applicable to non-volatile HLS. PBPK model used in PKQuest. Keywords: adipose; blood; concentration; ecs; lipid; model; pbpk; permeability; pkquest; plasma; solutes; tissue
• Physiologically-based pharmacokinetic simulations in pharmacotherapy: selection of the optimal administration route for exogenous melatonin by Savoca, Adriana; Manca, Davide (2019) - Concluding, anatomical and physiological considerations can be converted into quantitative data to be carefully assessed, analyzed, and visualized via PBPK model simulations. Although recent works propose physiologically-based pharmacokinetic modelling of melatonin, no work has yet highlighted the potential of PBPK simulations to shed light on melatonin pharmacokinetic aspects and discrimination among administration routes. Keywords: administration; body; case; drug; figure; levels; melatonin; model; parameters; pbpk; pharmacokinetics; route; values
• A physiologically-based pharmacokinetic model of oseltamivir phosphate and its carboxylate metabolite for rats and humans by Gao, Guanghua; Law, Francis; Wong, Ricky Ngok Shun; Mak, Nai Ki; Yang, Mildred Sze Ming (2019) - 7 shows the model simulation and the experimental concentration-time profiles of plasma OC in humans during and after a 3-hour i.v. infusion of 150 mg OC. (— - - —) model- simulated OC concentrations Prediction of tissue/plasma OP/OC concentrations in humans receiving multiple OP dose regimens The PBPK model was used to simulate the kinetics of plasma OC in humans after receiving multiple oral dose regimens of OP Keywords: blood; brain; c c; concentration; data; dose; fig; humans; lung; model; oseltamivir; parameters; pbpk; pbpk model; plasma; rats; time; tissue
• Mechanistic modeling of gastrointestinal motility with integrated dissolution for simulating drug absorption by Johnson, Kevin Charles (2020) - In sample simulations, drug absorption from a series of fluid plugs emptied from the stomach at evenly spaced time intervals showed lower Cmax and higher Tmax than an equivalent dose emptied immediately as a single plug. i In keeping with the generally accepted view that the main site of drug absorption is the small intestine and not the stomach [13], kaj was assumed to be zero while plug j was in the stomach. Keywords: absorption; dissolution; drug; emptying; figure; fluid; model; plugs; stomach; volume
• GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions by Mecklenfeld, Andreas; Raabe, Gabriele (2020) - [47] M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, Montgomery, J. A., Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox. [114] G. A. Torín-Ollarves, J. J. Segovia, M. C. Martín, M. A. Villamañán. Keywords: atom; comput; data; energy; fit; gaff; ipolq; j. a.; j. chem; j. comput; mod+lj; model; parameters; phys; resp; results; rmsd; set; solvation; validation

• Challenges, current status and emerging strategies in the development of rapidly dissolving FDM 3D-printed tablets: An overview and commentary by Serajuddin, Abu (2023) - Effects acid-base interaction between glutaric acid and haloperidol on melt extrusion and printing temperatures, printability, and drug-polymer miscibility of FDM 3D printed tablets. The evaluation of the effect of different superdisintegrants on the drug release from FDM 3D printed tablets through different applied strategies: In vitro-in silico assessment. Keywords: 3d printing; acid; development; dissolution; drug; drug release; fdm; fdm 3d; filaments; increase; journal; kollidon; pharmaceutical; polymers; printing; rates; release; serajuddin; tablets
• Synthetic routes to theranostic applications of carbon-based quantum dots by Gowtham, Pemula; Harini, Karthick; Thirumalai, Anbazhagan; Pallavi, Pragya; Girigoswami, Koyeli; Girigoswami, Agnishwar (2023) - Compared to organic fluorophores, carbon dots exhibit high tunable flexibility, improved aqueous solubility, biocompatibility, bioavailability, chemical inertness, and considerably low photobleaching to apply in biomedical imaging and biosensing [2,3]. These elemental amalgamations enhance the electron-exchange ability of carbon dots that take a major role in redox reactions at the surface. Keywords: acid; applications; cancer; carbon; carbon dots; cds; cell; chemical; detection; dots; drug; et al; fluorescence; hydrothermal; imaging; journal; laser; liu; materials; method; properties; quantum; quantum dots; reaction; size; surface; synthesis; wang
• Development of a highly sensitive voltammetric sensor for the detection of folic acid by using MoS2 and ionic liquid-modified carbon paste electrode by Soltani Nejad, Hadi; Garkani Nejad, Fariba; Beitollahi, Hadi (2023) - https://doi.org/10.1016/ j.snb.2010.02.025 [42] M. Arvand, M. Dehsaraei, A simple and efficient electrochemical sensor for folic acid determination in human blood plasma based on gold nanoparticles–modified carbon paste electrode. In this study, MoS2 modified carbon ionic liquid paste electrode (MoS2-CILPE) sensor was fabricated as a highly sensitive voltammetric sensor to determine the FA. Keywords: acid; carbon; cilpe; detection; determination; electrode; folic; mos2; oxidation; paste; sensor
• Combined approach of nanoemulgel and microneedle pre-treatment as a topical anticellulite therapy: Original scientific article by Hameed, Hiba Imad; Al-Mayahy, Mohammed Hussain (2024) - Conclusion: This combined approach of NEG formulation containing a triple therapy of caffeine, aminophylline, and tretinoin, along with MNs application, has the potential to serve as a topical anticellulite product, reducing cellulite formation and improving skin appearance. NEG formulation was applied on the hair-free skin of the rat by spreading it evenly over the tested area. Keywords: acid; aminophylline; caffeine; delivery; dermis; drug; formulation; gel; journal; nanoemulgel; ne3; neg; nes; oil; permeation; phase; receptor; size; skin; stability; study; treatment; tretinoin
• Glyphosate-based herbicide metabolic profiles in human urine samples through proton nuclear magnetic resonance analysis : Original scientific article by Tajai, Preechaya; Konguthaithip, Giatgong; Chaikhaeng, Thanyaphisit; Jaikang, Churdsak (2024) - Characteristics of urinary creatinine concentration-time profiles for GLY metabolites, which include A - methylamine, B - formaldehyde, C - glyoxylic acid and D - sarcosine. Urinary creatinine concentration-time profiles of the average concentration of GLY, AP-3, and GLY metabolites, including methylamine, formaldehyde, glyoxylic acid, and sarcosine, collected from eight agricultural workers. Keywords: acid; ampa; analysis; concentration; data; exposure; formaldehyde; g-1; gbhs; gly; glyphosate; health; human; metabolism; metabolites; nmr; samples; study; time; urine
• Calendula officinalis L. (Asteraceae) possess antioxidant properties on Fe2+-initiated peroxidation of rat brain microsomes by Palacios, Alejandro; Barberón, Javier; Leaden, Patricio; Zeinsteger, Pedro (2016) - 23.109 ± 3.109 C18:0 23.067 ± 1.439 24.579 ± 1.973 22.947 ± 1.995 20.926 ± 2.505 C18:1ω9 34.601 ± 2.231 36.869 ± 2.163 34.429 ± 3.029 31.389 ± 2.942 C18:2ω6 3.019 ± 0.178 2.514 ± 0.710 0.645 ± 0.225 4.343 ± 0.982 Fatty acid Brain microsomes native Brain microsomes peroxidized C16:0 21.941 ± 1.018 28.006 ± 1.804 C18:0 16.496 ± 1.192 19.579 ± 1.032 C18:1ω9 30.991 ± 2.589 37.191 ± 2.879 C18:2ω6 0.717 ± 0.040 0.337 ± 0.053 C18:3ω3 2.404± 1.062 3.270 ± 1.527 Keywords: acid; brain; chemiluminescence; extract; fatty; group; microsomes; peroxidation
• A new method for measuring dopamine in the presence of uric acid employing a carbon paste electrode modified with the UiO-66 metal organic framework-graphene oxide nanocomposite: Original scientific article by Gatea, Azhar Hameed; Ajel, Aseer Shakir; Muslim Muhibes, Raed (2025) - A new method for measuring dopamine in the presence of uric acid employing a carbon paste electrode modified with the UiO-66 metal organic framework-graphene oxide nanocomposite doi: https://doi.org/10.5599/admet.2593 1 ADMET & DMPK 13(2) (2025) 2593; doi: https://doi.org/10.5599/admet.2593 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Experimental approach: Using electrochemical techniques, a new Universitet i Oslo MOF (UiO-66)-graphene oxide nanocomposite-modified carbon paste electrode was created to investigate the electrooxidation of uric acid and dopamine as well as their combinations. Keywords: acid; carbon; cpe; dopamine; electrochemical; electrode; figure; nanocomposite; paste; surface; uio-66
• Simultaneous determination of epinephrine and folic acid using MIL-101 (Fe)-NH2 metal-organic framework/graphene oxide nanocomposite modified electrode: Original scientific article by Khudhur, Rasha Kareem (2025) - EPI FOA EPI FOA 5.0 5.5 5.1 5.3 102.0 96.4 2.2 3.0 7.0 7.5 6.9 7.6 98.6 101.3 3.6 2.5 The suggested approach was also used to determine the levels of FOA and EPI in urine samples to assess their analytical applicability. In line with the quantitative study, the recommended sensor proved highly sensitive for EPI detection, presenting a low detection limit (LOD) coupled with high selectivity over a wide linear detection range. Keywords: acid; detection; determination; electrode; epi; epinephrine; figure; foa; folic; mof; nanocomposite; spe
• Electrochemical determination of calcium folinate in the presence of methotrexate and 5-fluorouracil using UiO-66/CdS composite modified screen-printed carbon electrode: Original scientific article by Muslim Muhibes, Raed; A.Khazaal, Fatma ; Salih, Qasim Mezban ; Radi Karabat, Raad (2025) - For calcium folinate determination, the designed sensor demonstrated good performance, with high sensitivity, a low limit of detection (LOD), and a wide linear range. Electrochemical determination of calcium folinate in the presence of methotrexate and 5-fluorouracil using UiO-66/CdS composite modified screen-printed carbon electrode doi: http://doi.org/10.5599/admet.2897 1 ADMET & DMPK 13(6) (2025) 2897; doi: https://doi.org/10.5599/admet.2897 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.pH-p/admet/index Original scientific paper Electrochemical determination of calcium folinate in the presence of methotrexate and 5-fluorouracil using UiO-66/CdS Keywords: acid; calcium folinate; cds; composite; detection; determination; electrode; figure; fluorouracil; methotrexate; response; sensor; spce; uio-66
• Efficient electrochemical determination of dopamine in the presence of uric acid in real samples using tungsten disulfide nanostructure modified electrode: Original scientific article by Jihad, Ibrahim Ayad; Joodi Jassim, Thekrayat ; Naeif Mageed, Zainab (2025) - Sample Concentration, M Recovery, % RSD, % (n = 5) Spiked Measured DPA Injection DPA URA DPA URA DPA URA DPA URA 0 0 4.4 - - - 3.6 - 1.5 5.0 6.0 4.9 101.7 98.0 2.1 3.1 2.5 7.5 6.7 7.6 97.1 101.3 3.0 2.7 3.5 10.0 7.8 10.4 98.7 104.0 1.9 2.1 4.5 12.5 9.3 12.4 104.5 99.2 2.7 2.5 Urine 0 0 - 2.4 - - - 2.7 5.0 2.0 5.1 4.3 102.0 97.7 3.0 2.3 7.0 4.0 6.8 6.5 97.1 101.6 2.2 3.3 9.0 6.0 9.1 8.2 101.1 97.6 2.7 1.8 11.0 8.0 10.9 10.8 99.1 103.8 2.3 2.5 Conclusions In conclusion, a voltammetric sensor was constructed using the WS₂/GCE to simultaneously detect URA and DPA. The current responses increase with increasing DPA concentration. Keywords: acid; detection; disulfide; dopamine; dpa; electrode; figure; sensor; tungsten; ura; ws2; ws₂/gce
• Nicotinic acid in nanocontainers. Encapsulation and release from ion exchangers by Altshuler, Heinrich; Ostapova, Elena; Altshuler, Olga; Shkurenko, Galina; Malyshenko, Natalya; Lyrschikov, Sergey; Parshkov, Roman (2019) - The half-conversion time of nicotinic acid release by 0.01 M solution of HCl from Dowex-50 is 140 s, which equals to 10,000 s when nicotinic acid is desorbed by water. The half- conversion time of nicotinic acid release by 0.1 M solution of Heinrich Altshuler et al. ADMET & DMPK 7(1) (2019) 76-87 86 NaCl from Dowex-1 is 1200 s that equals to more than one year when nicotinic acid is desorbed by water. Keywords: acid; acid release; anion; cation; dowex-1; dowex-50; encapsulation; exchanger; figure; ion; nanocontainers; polymer; release

• Exploring the impact of Crohn’s disease on the intragastric environment of fasted adults by Vertzoni, Maria; Koulouri, Christina; Poulou, Androniki; Goumas, Konstantinos; Reppas, Christos (2020) - (2020) 122-128 Impact of Crohn’s disease on the intragastric environment doi: http://dx.doi.org/10.5599/admet.846 123 the anus. Diagnosis of Crohn’s disease was based on histologic examination. Keywords: adults; contents; crohn; disease; gastric; patients; values
• In vitro pH dependent passive transport of ketoprofen and metformin by Elezović, Alisa; Marić, Amina; Biščević, Amila; Hadžiabdić, Jasmina; Škrbo, Selma; Špirtović-Halilović, Selma; Rahić, Ognjenka; Vranić, Edina ; Elezović, Amar (2020) - This is due to the fact that at this pH value there is a higher ratio of non-ionized substance, which permeates, compared to higher pH values, and, on the other hand, there is less retention in the membrane compared to lower pH value that is bellow pKa value, probably due to the larger portion of the ionized form. This is similar, although less pronounced, at higher pH values. Keywords: absorption; donor; ketoprofen; membrane; metformin; papp; permeability; permeation; results; substance; transport; values

• Pharmaceutical and pharmacokinetic evaluation of a newly formulated multiparticulate matrix of levodopa and carbidopa by Imbeah, Emelia Priscilla ; Adi-Dako, Ofosua; N’guessan, Benoit; Kukuia, Kennedy Kwami Edem ; Dankyi, Benedicta Obenewaa ; Adams, Ismaila; Ofori-Attah, Ebenezer; Appiah-Opong, Regina; Amponsah, Seth Kwabena (2022) - In general, levodopa release was found to increase steadily. Levodopa delivery from controlled- release polymer matrix: Keywords: carbidopa; chitosan; cm-1; cph; delivery; drug; evaluation; formulations; journal; levodopa; matrix; multiparticulate; pectin; release; sinemet
• Formulation and characterization of ketoprofen embedded polycaprolactone microspheres using solvent evaporation method by Wagh, Pankaj; Naik, Jitendra B (2015) - Six independent variables such as amount of KFN drug (A, mg), PCL (B, mg), DCM (C, ml), Water (D, ml), Surfactant (E, % w/v) and Speed (F, revolution per minute, rpm). The small peak at 2969 cm−1 corresponds to a symmetric structure vibration of the ethoxy groups, at 757 cm−1 of C-Cl stretching, at 1070 cm−1 of C-O-C stretching, at 1387 cm−1 of O-H stretching, at 1763 cm−1 of carbonyl group stretching, These values remained very close in the FTIR spectra of optimized KFN loaded microspheres (C), indicating no existence of the interaction between the KFN and polymer. Keywords: -1 -1; drug; fig; kfn; microspheres; pcl; release; value
• Targeting bone in cancer therapy: Advances and challenges of bisphosphonate-based drug delivery systems: Review article by Ganji, Fariba; Eshaghi, Mohammadmahdi; Shaki, Hossein; Tayebi, Lobat (2025) - Not only can they be employed to deliver an anticancer agent to the site of bone tumours selectively, but also their pharmacodynamic properties can be leveraged to control osteoclast activity and prevent pathological fractures in the tumour-bearing bone. This review provides a comprehensive analysis of the literature on drug delivery systems designed using BPs for targeted drug delivery to bone tumours. Keywords: affinity; alendronate; aln; binding; bisphosphonate; bone; bps; cancer; delivery; dox; drug; drug delivery; free; hap; journal; nps; release; structure; systems; targeting; therapy; tumour; vivo
• Study of Formulation Variables Influencing Polymeric Microparticles by Experimental Design by Naik, Jitendra B.; Deshmukh, Rameshwar K. (2014) - The objective of this study was to prepare diclofenac sodium loaded microparticles using the single emulsion The 22 (two factors and two levels) factorial design was employed for the optimisation of diclofenac sodium loaded microparticles using the Design-Expert® Software (Version-8.0.7.1, Stat-Ease Inc., Minneapolis, MN) which allows evaluation from four experiments. Keywords: design; diclofenac; drug; efficiency; encapsulation; india; journal; microparticles; release; sodium; variables
• In vitro dissolution/release methods for mucosal delivery systems by Jug, Mario; Hafner, Anita; Lovrić, Jasmina; Lusina Kregar, Maja; Pepić, Ivan; Vanić, Željka; Cetina-Čižmek, Biserka; Filipović-Grčić, Jelena (2017) - Some frequently used dissolution media for in vitro drug release testing of mucosal drug delivery systems. In all other cases, drug release is the more appropriate term. Keywords: apparatus; delivery; diffusion; dissolution; drug; drug release; formulation; journal; membrane; methods; mucosal; pharmaceutics; release; systems
• Spectroscopic examination and release of microencapsulated oregano essential oil by Partheniadis, Ioannis; Karakasidou, Panagiota; Vergkizi, Souzan; Nikolakakis, Ioannis (2017) - Since oregano EO contains volatile and easily oxidized active ingredients protection from environmental factors is important for retaining its activity in the marketed product. The aim of this work was to prepare a spray-dried encapsulated product of oregano EO of Greek origin that had high carvacrol content, using a composition of Arabic gum/starch/maltodextrin Keywords: carvacrol; drying; eosd; figure; oil; oregano; oregano eo; product; raman; release; spray
• Emulgel based topical delivery system for loratadine by Kumar, Vijay; Mahant, Sheefali; Rao, Rekha; Nanda, Sanju (2015) - Drug-excipient compatibility studies In the preparation of emulgel formulation, the drug and excipients may interact as they are in close contact with each other, which could result in instability of drug or the formulation. Prior to the preparation of emulgel formulations, preliminary experimental batches were formulated wherein their respective emulsions were prepared without the drug and, checked for their homogeneity and stability. Keywords: c10; drug; drug release; emulgels; formulation; loratadine; phase; release; s10; skin; stability; study; table; test
• In vitro release studies of furosemide reference tablets: influence of agitation rate, USP apparatus and dissolution media by Medina-López, Raúl; Guillén-Moedano, Sergio; Hurtado, Marcela (2020) - Advantages of USP Apparatus IV (flow-through cell apparatus) in dissolution studies. Furosemide reference tablets were tested using USP Apparatuses 1 and 2 as well as the flow-through cell method (USP Apparatus 4), a dissolution apparatus that simulates the human gastrointestinal tract better than the other methods. Keywords: apparatus; dissolution; drug; flow; furosemide; min; release; rpm; tablets; usp; usp apparatus; vitro
• The effect of drug ionization on lipid-based formulations for the oral delivery of anti-psychotics by Meola, Tahlia R; Paxton, Kara; Joyce, Paul; Schultz, Hayley B; Prestidge, Clive A (2020) - Preparation of drug loaded lipid emulsions The equilibrium solubilities of LUR and RIS in Miglyol® 812, Capmul® MCM and soybean oil were determined by adding excess drug to a known quantity of lipid. Impact of RIS reformulation on dissolution and release The opposite trend in performance was evident for RIS formulations, whereby the dissolution of pure RIS was superior to both LBFs, reaching 28.0 ± 1.0 % (156.1 µg/mL) after a 2 h period (Figure 5). Keywords: conditions; dissolution; drug; emulsion; formulations; https://dx.doi.org/10.5599/admet.830; lipid; lur; min; oral; release; ris; silica; slh; solubilisation

• A simple and fast flow injection amperometry for the determination of methimazole in pharmaceutical preparations using an unmodified boron-doped diamond electrode by Meoipun , Adison; Kaewjua, Kantima; Chailapakul , Orawon; Siangproh, Weena (2023) - The analytical methods used for MMI determination are described, including thin-layer chromatography [5], high-performance liquid chromatography with tandem mass spectrometry [6], ultraviolet detection [7,8], spectroscopy [9-11], potentiometry Unfortunately, MMI oxidation at the GCE generally has a weak electrochemical response. Keywords: analysis; bdde; detection; determination; electrode; fia; figure; flow; methimazole; method; mmi; mol; phosphate; solution
• Recent advances in nanomaterials-based electrochemical sensors for tramadol analysis by Mousazadeh, Farideh; Baghelani, Yar-Mohammad; Rahimi, Shamsi (2023) - The researchers are continuously putting their efforts into improving the sensitivity and selectivity of electrochemical sensors. Electrochemical sensors and biosensors integrated with nanostructured materials were employed as powerful analytical devices owing to numerous advantages such as rapid response, high performance, cost-effective, high sensitivity and selectivity by signal amplification not only via the catalytic activity and high conductivity but also by facilitating the immobilization of chemical and biological reagents on the sensor surface Keywords: acetaminophen; analysis; carbon; chemistry; cpe; detection; determination; electrochemical; electrode; gce; journal; limit; mwcnts; nanomaterials; nps; oxide; pharmaceutical; range; samples; sensor; surface; tramadol; voltammetric
• Voltammetric determination of vitamin B6 in the presence of vitamin C based on zinc ferrite nano-particles modified screen-printed graphite electrode by Mohammadzadeh Jahani, Peyman; Jafari, Maedeh; Ahmadi, Sayed Ali (2023) - Voltammetric determination of vitamin B6 in the presence of vitamin C based on zinc ferrite nanoparticles modified screen-printed graphite electrode doi: https://doi.org/10.5599/admet.1702 251 ADMET & DMPK 11(2) (2023) 251-261; doi: https://doi.org/10.5599/admet.1702 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Voltammetric determination of vitamin B6 in the presence of vitamin C based on zinc ferrite nano-particles modified screen- printed graphite electrode Peyman Mohammadzadeh Jahani1, Maedeh Jafari2 and Sayed Ali Ahmadi*3 1 School of Medicine, Bam University of Medical Sciences, Bam, Iran 2 Department of Pediatrics, School of Medicine, Kerman University of Medical Sciences, Kerman, Iran 3 Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, Iran *Corresponding Author: E-mail: ahmadi.iauk59@gmail.com Received: February 02, 2023; Revised: February 23, 2023; Keywords: carbon; chemical; determination; electrode; journal; presence; sensor; spge; vitamin; vitamin b6; znfe2o4
• Electrochemical sensor for determination of butylated hydroxyanisole in real samples using glassy carbon electrode modified by [Co(HL)2Cl2] nano-complex by Fazeli, Mahboobeh; Akbarzadeh-T, Niloufar (2023) - Metal–Salen Schiff base complexes in catalysis: practical aspects. During the past few decades, considerable attention has been paid to the chemistry of metal complexes of Schiff bases containing nitrogen and other donor atoms [46]. Keywords: base; bha; carbon; chemistry; co(hl)2cl2; complex; determination; electrode; figure; food; gce; journal; ligand; nano; samples; schiff; sensor
• An electrochemical sensing platform based on a modified carbon paste electrode with graphene/Co3O4 nanocomposite for sensitive propranolol determination by Karami-Kolmoti , Parisa; Zaeimbashi, Reza (2023) - Electrochemical determination of propranolol, acetaminophen and folic acid in urine, and human plasma using Cu2O–CuO/rGO/CPE. The chemical modification of inert substrate electrodes offers significant advantages in the design and development of electrochemical sensors [48-52]. Keywords: carbon; co3o4; cpe; detection; determination; electrochemical; electrode; graphene; journal; nanocomposite; paste; propranolol; sensor
• Voltammetric determination of hydrochlorothiazide at a modified carbon paste electrode with polypyrrole nanotubes by Mohammadnavaz , Arefeh; Garkani, Fariba (2023) - Flower-like CuO/polyaniline composite for electrochemical determination of hydrochlorothiazide. [23] Z. Taleat, M. M. Ardakani, H. Naeimi, H. Beitollahi, M. Nejati, H. R. Zare. Keywords: carbon; chemistry; cpe; detection; determination; electrochemical; electrode; figure; hctz; hydrochlorothiazide; journal; modified; nts; ppy; sensor
• Recent advances in electrochemical determination of anticancer drug 5-fluorouracil by Dodevska, Totka; Hadzhiev, Dobrin; Shterev, Ivan (2023) - This comprehensive review covers the advances in the development of electrochemical sensors for the quantitative determination of 5-FU, mainly focused on original studies reported from 2015 to date. Electrochemical sensors for 5-FU determination The general principle of electrochemical detection of 5-FU is illustrated in Fig. Keywords: analysis; carbon; cpe; current; detection; determination; dpv; drug; electrode; fluorouracil; gce; linear; method; pharmaceutical; range; samples; sensing; sensor; serum; surface; urine
• An electrochemical sensor based on a modified glassy carbon electrode for detection of epinephrine in the presence of theophylline by Beitollahi, Hadi; Sarbandian, Zahra (2024) - Inset B: Plot of the peak currents as a function of theophylline concentrations Stability and reproducibility studies The stability and reproducibility studies of the CeO2-ZnO/GCE sensor for epinephrine determination were evaluated by DPV measurements. The pH influence on epinephrine detection in phosphate buffer solution (PBS) on the modified electrode surface was explored at different pH values (2.0 to 9.0) and the epinephrine concentration of 200.0 µM. The maximum peak current of epinephrine oxidation was found at the pH value of about 7.0; accordingly, this value was selected as the optimal experimental condition for the experiments (Figure 1A). Keywords: carbon; ceo2; detection; determination; electrode; epinephrine; figure; gce; journal; nanocomposite; pbs; sensor; theophylline; zno
• Nanomaterials as catalysts for the sensitive and selective determination of diclofenac by Dodevska, Totka; Shterev, Ivan (2023) - Electrochemical DCF sensors based on modified CPE as a transducer have been developed, which were able to detect low amounts of the target analyte Several papers reported on DCF electrochemical detection using carbon-based materials and/or metal nanoparticles as GCE modifiers [14-18]. Keywords: carbon; dcf; detection; determination; diclofenac; electrochemical; electrode; gce; mwcnts; pharmaceutical; samples; sensor; surface; urine; water
• Electrochemical profiling of natural furanocoumarins: DNA interaction dynamics of oxypeucedanin and prantschimgin by Kaya, Hüseyin Oğuzhan; Albayrak, Gokay; Isbilir, Hasan; Kurul, Fatma; Baykan, Sura; Hartati, Yeni Wahyuni; Topkaya, Seda Nur (2024) - We prepared Oxyp solutions with varying concentrations from 5 to 80 µg/mL (equivalent to 17.5 to 279.5 µM), which were subsequently combined with dsDNA in the solution phase. (C) DPV of ACB (pH 4.8) (blank) and Pra solution (Pra) with a scan rate of 100 mV/s and a range of +0.8 V to +1.4 V. Keywords: currents; dpv; drug; dsdna; electrode; figure; guanine; interaction; oxidation; oxyp; peak; potential; pra; solution; surface
• Fast and simple voltammetric sensing of avanafil in the pharmaceutical formulation by using unmodified boron-doped diamond electrode by Ali, Hoshyar Saadi; Barzani, Hemn A.H.; Yardim, Yavuz (2024) - The kinetics of AVN oxidation at the BDD electrode were determined by employing the CV technique in a 0.04 mol L-1 BR buffer at a pH of 4.0. To evaluate the number of electrons (n) involved in AVN oxidation on the BDD electrode, the equation αn = 47.7/(Ep-Ep/2) was used, with Ep (electrochemical potential difference) determined to be 77 mV. From this equation, the number of electrons involved in the reaction can be calculated. Keywords: avanafil; avn; bdd; current; determination; diamond; electrode; figure; method; ml-1; mol; oxidation; peak; pharmaceutical; voltammetric
• Determination of methotrexate using carbon paste electrode modified with ionic liquid/Ni-Co layered double hydroxide nanosheets as a voltammetric sensor by Mohammadzadeh Jahani , Peyman; Garkani Nejad, Fariba; Zaimbashi, Reza; Aflatoonian, Mohammad Reza; Tajik, Somayeh; Beitollahi, Hadi (2024) - Keywords Electrochemical sensor; real sample analysis; cyclic voltammetry; differential pulse voltammetry Introduction Methotrexate (MTX) is a widely used anti-cancer drug. This has led to the emergence of ILs as an innovative and promising class of materials in electrochemical sensors and electroanalytical techniques Keywords: carbon; cpe; detection; determination; electrode; journal; ldh; methotrexate; mtx; paste; performance; sensor
• Gold nanoparticle-modified screen-printed carbon electrodes for label-free detection of SARS-CoV-2 RNA using drop casting and spray coating methods: Original scientific article by Zakiyyah, Salma Nur; Satriana, Nadya Putri; Fransisca, Natasha; Gaffar, Shabarni; Syakir, Norman; Irkham, Irkham; Hartati, Yeni Wahyuni (2025) - Key results: The results showed that SPCE modification with AuNPs by DC produced a higher peak current height of 12.267 μA with an Rct value of 2.534 kΩ, while SC improved the distribution of AuNPs in the electrode surface. The common nanoparticles used for SPCE modification include silver, platinum, metal oxides, carbon nanotubes, and gold. Keywords: aunps; carbon; cov-2; current; detection; dna; electrode; figure; gold; method; ml-1; modification; probe; rna; sars; solution; spce; surface; target
• Voltammetric determination of sumatriptan in the presence of naproxen using a modified screen printed electrode: Original scientific article by Jabbar Al-Maliki, Hazim Saad; Jasim Mohammed, Sudad; Al-Musawi, Adil Turki; Abdul- Razaq Al-Faraji, Aliaa Saadoon; Kzar, Mazin Hadi; H. Kadhum, Abdul Amir; Nameh, Huda Hadi; Mhaibes, Raed Muslim (2025) - To overcome this challenge, researchers have developed modified electrodes incorporating nanoparticles, improving the sensitivity and efficiency of electrochemical detection. Among several analytical methods, liquid chroma- tography is one frequently used for sumatriptan detection by most analysts. Keywords: analysis; comoo4; comoo4 nss; current; detection; determination; electrochemical; electrode; figure; journal; nanosheets; naproxen; nss; solution; spe; sumatriptan
• Two-dimensional Co-based metal-organic framework nanosheets as an efficient electrochemical sensing platform for simultaneous determination of daunorubicin and idarubicin: Original scientific article by Tajik, Somayeh; Beiromi, Erfan; Beitollahi, Hadi; Garkani Nejad, Fariba; Dourandish, Zahra (2025) - Experimental approach: The two- dimensional Co-based metal-organic framework nanosheets (2D Co-MOF NSs) were synthesized and then utilized to modify the screen-printed carbon electrode (2D Co-MOF NSs/SPCE). The utilization of 2D cobalt-based MOF nanomaterials (2D Co-MOF NSs) as an electrode material for electrochemical sensors has emerged as a topic of significant research interest. Keywords: daunorubicin; detection; determination; dnr; electrode; figure; idarubicin; idr; mof; nss; sensor; spce
• Epirubicin-sensitive detection with a CoWO4/reduced graphene oxide modified screen-printed electrode: Original scientific article by Tajik, Somayeh; Moghimian, Razieh; Beitollahi, Hadi (2025) - Due to its greater electrical conductivity and bigger active surface area, the CoWO4/rGO/SPE sensing platform demonstrated better electrochemical performance for EP detection than unmodified SPE. On the CoWO4/rGO/SPE, however, a significant impact on EP detection was noted. Keywords: carbon; cowo4; detection; determination; electrode; epirubicin; figure; graphene; nanocomposite; rgo; screen; sensor; spe
• CRISPR-Cas9-based electrochemical biosensor for the detection of katG gene mutations in isoniazid-resistant tuberculosis: Original scientific article by Wulandari, Dika Apriliana; Zein, Muhammad Ihda Hamlu Liwaissunati; Zakiyyah, Salma Nur; Ishmayana, Safri; Ozsoz, Mehmet; Wahyuni Hartati, Yeni; Irkham (2025) - The resulting ferrocene redox current indicated DNA cleavage activity, with lower current responses observed in the presence of target mutations compared to wild-type or non-target sequences. Conformational control of DNA target cleavage by CRISPR-Cas9. Keywords: agc; biosensor; cas9; cleavage; crispr; detection; dna; electrode; ferrocene; gene; grna; katg; mutations; pam; probe; sequence; ser; spce; surface; target; tuberculosis
• Morphine electrochemical determination using SnO2 nanostructure-modified glassy carbon electrode in the presence of diclofenac: Original scientific article by Taeb, Isam Ngaimesh ; Hadawi, Zainab S. ; Alibabery, Rasha N. (2025) - The SnO2 nanostructures/GCE further exhibited a more sensitive detection platform for MP determination with a limit of detection of 0.006 μM using differential pulse voltammetry in a linear range of 0.01 to 340.0 μM. Conclusion: The SnO2 nanostructures/GCE exhibited extremely high electrochemical activities towards the simultaneous oxidation of MP and DLF. The SnO2 nanostructures/GCE further exhibited a more sensitive detection platform for MP determination with a limit of detection of 0.006 μM using differential pulse voltammetry in a linear range of 0.01 to 340.0 μM. Additionally, the SnO2 nanostructures/GCE exhibited extremely high electrochemical activities towards the simultaneous oxidation of MP and DLF. Keywords: concentration; determination; dlf; electrode; figure; gce; morphine; nanostructures; oxidation; sno2; sno₂
• Electrochemical sensing and quantification of theobromine in cocoa products at polyvaline functionalized graphite paste sensor electrode: Original scientific article by Battira Madappa, Sharmila ; Manjunatha, Jamballi G. (2025) - This work constitutes the utilization of an electropolymerized carbon-based sensor for THB analysis and is absolutely a novel approach with promising performance, affordability and reliability. Structure of theobromine Experimental section Chemicals and instrumentation The reagents utilized in THB analysis were of analytical grade. Keywords: analysis; bgps; cocoa; current; electrode; figure; food; pbs; peak; pvmgps; sensor; surface; thb; theobromine
• A simple UiO-66-NH2@MWCNTs based electrochemical sensor for the sensitive detection of metronidazole: Original scientific article by Salman, Noor Abd Alkhudhur ; Jassem, Israa A. ; Taeb, Isam Nghaimesh (2025) - Linear plots depicting current against t-1/2 derived from chronoamperometric data at varying MRNZ concentrations (Inset A), along with a linear plot of the slopes obtained from Inset (A) against MRNZ concentration (Inset B) The DPV responses of the UiO-66-NH2@MWCNTs/SPCE for the detection of various MRNZ concentrations are illustrated in Figure 4. Keywords: 13(6; analysis; carbon; detection; dpv; electrode; metronidazole; mrnz; nh2@mwcnts; samples; sensing; sensor; spce; uio-66
• Development of a carbon paper-based electrochemical immunosensor for trimethoprim detection in fishery species: monitoring antibiotic contaminants: Original scientific article by Freitas, Maria; Dibo, Vitória ; Ribeiro, Rita; Delerue-Matos, Cristina; Morais, Simone; Torrinha, Álvaro (2025) - TMP analysis was widely performed using conventional glassy carbon electrodes (GCE) ADMET & DMPK 13(6) (2025) 2962 10 Table 1. Electrochemical sensor characteristics for TMP analysis, analytical performance and sample application Sensing surface Techni- que Sensor performance Sample analysis Ref. Keywords: analysis; antibody; assay; carbon; conjugate; detection; electrochemical; electrode; enzyme; figure; fishery; graphite; immunosensor; l-1; paper; sample; signal; surface; tmp; trimethoprim
• Electrochemical detection of chloramphenicol using gadolinium tungstate with sulphur-doped carbon nitride nanocomposite: Original scientific paper by Alanahally Mallu, Trishul ; Sakleshpur Kumar, Gagankumar ; Arehalli Shivamurthy, Santhosh ; Seetharamaiah, Nalini ; Basavarajappa, Manoj Kumar ; Shadakshari, Sandeep (2025) - Ultrasonic assisted preparation of CoMoO₄ nanoparticles modified electrochemical sensor for chloramphenicol determination. While minor optimization may further expand its applicability, the study advances electrochemical sensing by introducing a robust nanocomposite with improved analytical performance for CAP detection. Keywords: c3n4; cap; carbon; chloramphenicol; current; detection; determination; electrode; figure; gce; gd2(wo4)3; journal; nanocomposite; scan; sensor; surface
• Y-Co metal-organic framework for sensitive electrochemical determination of doxorubicin hydrochloride: Original scientific article by Mir, Somayeh; Akbarzadeh Torbati, Niloufar; Amani, Vahid ; Tajik, Somayeh; Beitollahi, Hadi (2025) - Experimental approach: An electrochemical sensing strategy was designed for DOX·HCl determination by using Y-Co bimetallic metal-organic framework (Y-Co MOF) modified carbon paste electrode (CPE). TEM image of Y-Co-MOF Evaluating the CV responses of unmodified CPE and Y-Co-MOF/CPE for DOX·HCl determination To evaluate the influence of the pH of electrolyte solution on the oxidation of DOX·HCl on the Y-Co-MOF/ /CPE, the DPVs were recorded in PBS (0.1 M) at different values of pH (from pH 3.0 to pH 9.0). Keywords: carbon; cpe; determination; doxorubicin; dox·hcl; electrode; figure; journal; metal; mof; redox; sensor
• Prospects on the Hyphenated Electrochemistry and Mass Spectrometry as a Practical Analytical Technique in the Assessment of Oxidative Drug Metabolism by Nigjeh, Eslam (2014) - A selective oxidation might be performed by electrocatalytic activation of hydrogen peroxide on platinum electrode surface to generate hypothetical platinum-oxo species that are capable of selective oxidation reactions. Direct electrochemical oxidations, unlike reactive species generated during catalytic activation of molecular oxygen by Cytochrome P450s, can only promote oxidation reactions initiated by electron transfer reactions [7,8]. Keywords: drug; electrochemistry; electrode; electron; metabolism; oxidation; oxygen; reactions; species; transfer

• An overview on the role of telomere , telomerase in degenerative diseases and cancer by Li, Churong; Gang, Yin (2015) - TERC as a template can add a TTAGGG nucleotide repeat to the 3’ end of the telomere’s leading strand; TERT is taken to be the rate-limiting component of telomerase activity [13]. Telomerase activity in AD patients was significantly elevated compared with healthy controls and vascular dementia patients, possibly as a response to the telomere erosion accompanying the disease. Keywords: activity; cancer; diseases; dna; length; patients; telomerase
• Cardiovascular safety of tyrosine kinase inhibitors: Putting their “QT-phobia” in perspective by Shah, Rashmi (2016) - [113] J. J. Babcock, M. Li. [112] J. I. Vandenberg, M. D. Perry, M. J. Perrin, S. A. Mann, Y. Ke, A. P. Hill. Keywords: administration; approval; cancer; drug; effects; events; food; interval; patients; pkis; potential; prolongation; qtc; risk;  
• Pembrolizumab in PD-L1-positive advanced non-small cell lung carcinoma: A meta-analysis of survival benefits and immune-related toxicity events patterns: Original scientific article by Chakramurty, Alendra; Rahma Dinni, Adetya ; Silvia, Ihda ; Laras Cantika, Aprilyan ; Dyah Kencono Wungu, Citrawati (2025) - Heterogeneity was low for the young population for OS (I²=44 %) and zero for PFS (I²=0 %), while older patients demonstrated no heterogeneity across studies (I²=0 % for both endpoints), supporting strong and consistent age-related treatment effects. The female OS analysis revealed, nonetheless, significant heterogeneity (I²=87 %), reflecting heterogeneity of response to treatment across studies. Keywords: analysis; cancer; cell; cell lung; chemotherapy; expression; immune; immunotherapy; lung; lung cancer; non; patients; pembrolizumab; survival; treatment
• Tissue distribution of crizotinib and gemcitabine combination in a patient-derived orthotopic mouse model of pancreatic cancer by Honeywell, Richard J.; Avan, Amir; Giovannetti, Elisa; Peters, Godefridus J. (2016) - In whole blood gemcitabine was about 1.0 µM and crizotinib 2.4 µM in the single treatment, whereas in the combination crizotinib increased the levels of gemcitabine. We determined tissue distribution of gemcitabine, an antimetabolite, and crizotinib, a tyrosine-kinase inhibitor targeted against the anaplastic lymphoma kinase (ALK) and mesenchymal-epithelial transition factor (c-Met) receptors, in a validated orthotopic mouse model for pancreatic cancer. Keywords: blood; cancer; combination; crizotinib; drug; figure; gemcitabine; mouse; tissue
• Tyrosine kinase inhibitors for EGFR- and ALK-mutated non-small cell lung cancer by Thompson, Jonathan R.; Menon, Smitha P.; Dy, Grace K. (2016) - [59] T. Mitsudomi, S. Morita, Y. Yatabe, et al. [105] Q. Zhou, B. Gan, L. Yuan, et al. Keywords: afatinib; alectinib; alk; cancer; cell; cns; crizotinib; disease; dose; drug; egfr; erlotinib; et al; gefitinib; kinase; months; mutations; nsclc; oncol; osimertinib; patients; phase; resistance; response; study; tki; treatment
• Tyrosine kinase inhibitors: new molecules in non-small cell lung cancer (EGFR AND ALK) by Franco, Fernando; Mendez, Miriam; Gutierrez, Lourdes; Provencio, Mariano (2017) - [2] N. Lindeman, P. Cagle, M.B. Beasley et al. [31] D. Camidge, S. Kono, A. Flacco, et al. Keywords: alk; cancer; crizotinib; egfr; et al; inhibitors; mutations; oncol; patients

• What ADME tests should be conducted for preclinical studies? by Wan, Hong (2013) - DMPK/ADME: definition and study purpose  DMPK, or Drug Metabolism and Pharmacokinetics, is an important part of studies often referred to as  ADME (Absorption, Distribution, Metabolism, and Elimination).    Often, at the early stage of hit‐to‐lead, key  in vitro assays and  studies,  such as  solubility,  liver microsomal  stability, CYP  inhibition, and permeability  should  be  conducted  to  provide  key  data  for  chemists  to  select  the  more  metabolically  stable  and  active/potent compounds for further in vivo PK studies. Keywords: adme; data; drug; metabolite; safety; studies; vivo

• Mucoadhesive Polymer Hyaluronan as Biodegradable Cationic/Zwitterionic-Drug Delivery Vehicle by Torrens, Francisco; Castellano, Gloria (2015) - J. 128 (1972) 1255-1263 J. 82 (2002) 1848-1857 [6] M. Moulabbi, H. Broch, L. Rober, D. Vasilescu, J. Mol. Keywords: area; atoms; chem; dimension; drug; figure; ha·3ca·9h2o; hydrate; molecular; structure; surface; torrens; water

• Nose-to-Brain delivery of insulin for Alzheimer’s disease by Stützle, Martina; Flamm, Johannes; Carle, Stefan; Schindowski, Katharina (2015) - [87] Conclusive remarks about the lack of valuable PK-PD studies Nasal insulin delivery using such above mentioned absorption enhancers shows rapid delivery of insulin to the serum [58,88]. Intranasal insulin also slowed development of cognitive decline in different disease models [43] and improved learning and memory in wild type mice [48]. Keywords: administration; brain; cns; delivery; drug; epithelium; insulin; intranasal; journal; levels; n2b; olfactory; study; transport

• Use of Azospirillum baldaniorum cells in quercetin detection by Kanevskiy , Matvey; Kosheleva, Irina; Menukhov, Vladislav; Zhdanova, Elizaveta; Borisova, Svetlana; Burygin , Gennadiy; Konnova , Svetlana; Bunin, Viktor; Guliy, Olga (2023) - ADMET & DMPK 11(2) (2023) 277-291 Quercetin detection with Azospirillum cells doi: https://doi.org/10.5599/admet.1661 283 Phase-contrast microscopy To confirm the inhibition of A. baldaniorum cell growth by quercetin at 50 and 100 μM, we used phase- contrast light microscopy. ADMET & DMPK 11(2) (2023) 277-291 Quercetin detection with Azospirillum cells doi: https://doi.org/10.5599/admet.1661 285 EO analysis of Azospirillum cell suspensions Because flavonoids may damage the cell surface of bacteria, we used EO analysis to confirm the results obtained. Keywords: analysis; azospirillum; baldaniorum; cell; detection; determination; effect; figure; flavonoids; impedance; journal; naringenin; quercetin; rutin; sp245

• Electrochemical sensor based on multi-walled carbon nanotubes and two-dimensional zeolitic imidazolate framework nanosheets: Application in determining dacarbazine: Original scientific article by Tajik, Somayeh; Beitollahi, Hadi; Garkani Nejad, Fariba; Dourandish, Zahra; Adeloju, Samuel (2025) - Evidently, the anodic peak current increased with increasing dacarbazine concentration and the plot of I versus dacarbazine concentration gave a linear relationship from 0.01 µM to 80.0 µM (Figure 6, Inset). ADMET & DMPK 13(1) (2025) 2617 8 Stability, reproducibility, and repeatability studies The stability of the prepared MWCNTs/2D ZIF-L NSs/SPCE sensor towards dacarbazine determination was investigated during the period of 15 days. Keywords: carbon; dacarbazine; determination; electrochemical; l nss; mwcnts/2d; mwcnts/2d zif; nanocomposite; nss; sensor; spce; zif

• Use of voltammetry for in vitro equilibrium and transport studies of ionisable drugs by Velicky, Matej; Rodgers, Andrew Norman John; Dryfe, Robert Angus William; Tam, Kin Y (2014) - Thompson et al. have reported one of the first electrochemical characterisations of drug transfer (amphotericin B and valinomycin) across various polymer filter membranes soaked in organic solvent and lipids and proposed the formation of micro-BLMs within the membrane [47]. The study of drug partition across an interface between immiscible aqueous and organic phases is an established way to characterise the lipophilicity of drugs and the resulting partition coefficient (P) is a common measure of lipophilicity. Keywords: coefficient; diffusion; drug; ities; journal; membrane; partition; phase; potential; transfer
• Naringin prevents heart mitochondria dysfunction during diabetic cardiomyopathy in rats: Original scientific article by Zavodnik, Ilya; Kavalenia, Tatsiana A.; Kirko, Siarhei N.; Belonovskaya, Elena B.; Kuzmitskaya , Irina A.; Eroshenko, Yulia V.; Lapshina, Elena A.; Buko, Vyacheslav U. (2025) - Activation of a novel long-chain free fatty acid generation and export system in mitochondria of diabetic rat hearts. Recently, in our experiment in vitro we showed that naringin (75 μM) promoted membrane potential dissipation, partially prevented Ca2+-induced cardiac mitochondrial morphological transformations (200 μM) and calcium-induced MPT pore formation, dose-dependently inhibited the respiratory activity (10 to 75 µM) in isolated rat cardiac mitochondria [29]. Keywords: animals; blood; ca2; calcium; control; diabetes; diabetic; dysfunction; group; heart; https://doi.org/10.5599/admet.2571; insulin; journal; membrane; mitochondria; mpt; naringin; potential; protein; rats; treatment; type
• Effect of bicarbonate buffer on artificial membrane permeation of drugs: Original scientific article by Ishida, Shiori; Lee, Sam; Sinko, Balint; Box, Karl; Sugano, Kiyohiko (2025) - On the other hand, the Pe values in BCB and PPB were similar for unionizable drugs (caffeine and antipyrine) and hydrophilic weakly basic drugs (metoprolol and procainamide). Concentration time profiles of weakly basic drugs in the acceptor chamber. Keywords: bcb; bicarbonate; buffer; dissolution; drugs; membrane; permeation; ppb; value
• Comparison of lipophilic and size-exclusion membranes: creating sink conditions with cyclodextrin: Original scientific article by Tőzsér, Petra; Kádár, Szabina; Szabó, Edina; Pataki, Hajnalka; Sóti, Péter; Laczay, Péter; Balogh , György Tibor; Sinkó, Bálint; Borbas, Eniko (2025) - This fundamental difference in transport mechanisms raises the question of whether size-exclusion membranes can serve as possible alternatives to lipophilic membranes for permeability assessments, particularly in cases involving solubilizing agents. In lipophilic membranes, drug molecules must overcome the UWL before partitioning into the lipophilic phase, while in size-exclusion membranes, the transport occurs entirely in an aqueous environment. Keywords: acceptor; concentration; diffusion; donor; drug; exclusion; kda; lipophilic; membrane; permeability; sink; size; transport
• Biomembrane mimics and their roles in anti-bacterial drug discovery by Hu, Xiaohui; Tam, Kin (2017) - They tend to form head-by-head, tail-to-tail bilayer structure in cell membrane to extrude water, salt and other hydrophilic molecules and maintain low entropy state. [10] and small proteins [11] could also interact with or insert into cell membrane, where they interfere with membrane formation or alter local membrane structure, thus reducing bacteria growth or reproduction. Keywords: bilayer; cell; chem; drug; lipid; membrane; mimics; protein; structure
• Association of vancomycin with lipid vesicles by Hu, Xiaohui; Tam, Kin Yip (2017) - On the other hand, the two hydroxyls on the head group of the POPG could potentially interact with vancomycin via hydrogen bond formation, which promotes the glycopeptide association with lipid membrane [22]. Glycopeptide antibiotic vancomycin has been used to treat a number of infections caused by broad spectrum of gram-positive bacteria [9,10]. Keywords: antibiotics; association; binding; cell; figure; lipid; liposome; membrane; vancomycin; vesicle
• Cellular membrane affinity chromatography (CMAC) in drug discovery from complex natural matrices by Stephen, Cayman; El Omri, Abdelfatteh; Ciesla, Lukasz M. (2018) - Preparation steps of cell membrane affinity chromatography columns (CMAC) Cell membrane affinity chromatography column after packing IAM particles with the immobilized cell membrane fragments into a glass column Finally, a series of concentrations of a known high-affinity ligand should be injected in consecutive runs onto the CMAC column to determine the compound’s binding affinity (KD) Keywords: affinity; cell; chromatography; cmac; column; discovery; drug; immobilized; ligand; membrane; protein; receptor; transmembrane; wainer
• Erratum to the paper: In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery by Valko, Klara Livia; Teague, Simon; Pudgeon, Charles (2018) - In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery. Erratum to the paper: In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery doi: 10.5599/admet.568 267 ADMET & DMPK 6(3) (2018) 267-268; doi: http://dx.doi.org/10.5599/admet.568 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Erratum Erratum to the paper: In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery Klara Valko*1, Simon Teague2, Charles Pudgeon3 1 Bio-Mimetic Chromatography Ltd, Unit 5B Business & Technology Centre, Stevenage, SG1 2DX Hertfordshire United Kingdom 2 GlaxoSmithKline, Stevenage, United Kingdom 3 Independent Researcher, affiliate of Regis Technologies Inc, Morton Grove, IL 60052 USA *Corresponding Author: E-mail: Klara_Valko@bio-mimetic-chromatofraphy.com; Tel.: Keywords: membrane; protein
• Permeation characteristics of tetracyclines in parallel artificial membrane permeation assay by Yamauchi, Sachika; Sugano, Kiyohiko (2019) - To investigate the permeation mechanism of TC, the saturation and inhibition of TC permeation were investigated. The parallel artificial membrane permeation assay (PAMPA) has been widely used as a high throughput assay for passive membrane permeation [7-10]. Keywords: buffer; effect; membrane; pampa; permeation; tetracyclines
• Permeation characteristics of tetracyclines in parallel artificial membrane permeation assay II: Effect of divalent metal ions and mucin by Yamauchi, Sachika; Inoue, Daisuke; Sugano, Kiyohiko (2020) - Tetracyclines metal complexation: Significance and fate of mutual existence in the environment. Based on these observations, they suggested that Ca 2+ linked mucin binding decreased the TC concentration available for membrane permeation, resulting in a decrease in the effective intestinal wall permeation. Keywords: ca2; effect; ions; membrane; metal; mucin; pampa; permeation; tetracyclines

• Human Serum Albumin Binding of 2-[(Carboxymethyl)sulfanyl]-4-oxo-4-(4-tert-butylphenyl)butanoic Acid and its Mono-Me Ester by Cvijetić, Ilija N; Petrović, DuÅ¡an D; Verbić, Tatjana Ž; Juranić, Ivan O; Drakulić, Branko J (2014) - 1 selectively binds to HSA Sudlow site I (warfarin site) with moderate binding constant (Kb = (2.8 ± 0.5)  10 4 M -1 at 37 ± 1 C), while comp. Docking studies confirmed HSA Sudlow site I as a preferable comp. Keywords: binding; comp; constant; docking; energy; figure; fluorescence; hsa; journal; protein; quenching; site; sudlow; trp214
• Interaction between albumin originating from persons with uncontrolled diabetes mellitus type 2 and food antioxidants: Original scientific article by Šunderić, Miloš; Dekanski, Dragana; Nedić, Olgica (2025) - Spontaneous and ionizing radiation-induced aggregation of human serum albumin: dityrosine as a fluorescent probe. Methylglyoxal induced glycation and aggregation of human serum albumin: Biochemical and biophysical approach. Keywords: albumin; antioxidants; binding; dhla; diabetes; group; interaction; ligand; persons; protein; resveratrol; samples; serum; study
• The inhibition of adenylate kinase by 2,4-thiazolidinedione evaluated by protein-ligand docking by Ionescu, Mihaela Ileana (2017) - Human AKs interactions with 2,4-thiazolidinedione are divergent; a single notable connection being observed in case of mitochondrial isoenzyme 2 and its counterpart from E. coli. Human AKs docked with 2,4-thiazolidinedione. Keywords: aks; binding; coli; docking; gram; hydrogen; ligand; protein; residues; thiazolidinedione
• Induced fit for cytochrome P450 3A4 based on molecular dynamics by Scior, Thomas R.F.; Quiroga, Israel (2019) - A larger RMSD value (typically 4 to 6 or 7) indicates that protein structures have moved more freely and have suffered larger geometrical shifts [27]. Heterogeneity and inaccuracy in protein structures solved by X-ray crystallography. Keywords: 3nxu; changes; crystal; enzyme; fit; ligand; loop; protein; rit; rmsd; site; structures; substrate; systems; table

• Bacteriocin-mediated inhibition of some common pathogens by wild and mutant Lactobacillus species and in vitro amplification of bacteriocin encoding genes by Ahsan, Arooj; Mazhar, Bushra; Khan, Muhammad Kamran; Mustafa, Madiha; Hammad, Muhammad; Ali, Nazish Mazhar (2021) - Molecular characterisation of new organisation of plnEF and plw loci of bacteriocin genes harbour concomitantly in Lactobacillus plantarum I-UL4. Electrophoresis was done at 80 V for 60 min. Analysis of bacteriocin gene sequence The products of PCR were sent for sequencing to 1st Base laboratory, Malaysia. Keywords: activity; bacteria; bacteriocin; food; gcu; inhibition; lactobacillus; ms1; ps1; ps2; strains
• Newly discovered Staphylococcus aureus serine hydrolase probe and drug targets by Fellner, Matthias (2021) - Such new compounds https://dx.doi.org/10.5599/admet.1137 https://doi.org/10.5599/admet.1137 http://www.pub.iapchem.org/ojs/index.php/admet/index mailto:matthias.fellner@otago.ac.nz http://creativecommons.org/licenses/by/4.0/ Matthias Fellner ADMET & DMPK 10(2) (2022) 107-114 108 have the potential for diagnosis, monitoring or treatment of S. aureus infections. FphH - SAOUHSC_00802 The fphH transposon mutant was the only Fph S. aureus single knockout mutant that strongly suggested a functional link to the other Fph proteins, as a gel-based labelling assay suggested upregulation of several other Fph proteins, for example, FphE and FphD Keywords: activity; aureus; cell; fphb; fphe; fphf; hydrolase; probe; proteins; site; staphylococcus; structure

• Subcellular localization of several structurally different tyrosine kinase inhibitors by Honeywell, Richard; Hitzerd, Sarina; Kathmann, Ietje; Peters, Godefridus (2018) - Therefore we investigated whether this also holds for other TKIs, targeted against different protein kinases. For this purpose we used the ProteoExtractR kit, which enables a subcellular extraction separating cellular proteins into four distinct fractions covering the cytosol, membranes and membrane organelles (including lysosomes), nuclear proteins and the cytoskeleton. Keywords: accumulation; cell; distribution; drug; fraction; hours; sunitinib; tkis

• Evaluation of pharmacokinetic and pharmacodynamic interaction between repaglinide and atazanavir in healthy, diabetic and hepatic impaired rats: possible inhibition of CYP3A, OATP, and P-glycoprotein transporters by Goud, Thirumal Eswara; Maddi, Srinivas; Devanna, Nayakanti; Prasad, Thatipamula Rajendra (2016) - Repaglinide in the presence of atazanavir in normal rats Repaglinide in the presence of atazanavir in Diabetic rats Repaglinide in the presence of atazanavir in Hepatic impaired rats Cmax (ng/mL) 536 ± 30 1089 ± 123*** 2753 ± 7 *** 3410 ± 64 *** Tmax (h) 0.25 ± 0.00 4.0 ± 0.0 ** 4.0 ± 0.0 ** 0.5 ± 0.0 AUC0-t (ng/mL.h) 678 ± 51 8031 ± 274*** 12602 ± 227*** 18301 ± 151*** AUCtotal(ng/mL.h) 726 ± 55 8044 ± 265*** 12722 ± 209 *** 19101 ± 184*** Oral T1/2 (h) 3.0 ± 0.1 2.6 ± 0.1 3.5± 0.1 6.2 ± 0.3 ** Oral CL (mL/min/kg) 11 ± 1 1.03 ± 0.03*** 0.44 ± 0.01*** 0.65 ± 0.01 *** *** Significant at P<0.0001 compared to repaglinide control (alone) group. **Significant at P<0.0001 compared to repaglinide control (alone) group ADMET & DMPK 4(3) Keywords: atazanavir; concentration; control; diabetic; drug; glucose; group; hepatic; plasma; rats; repaglinide
• Preclinical formulation for the pharmacokinetics and efficacy of GBO-006, a selective polo like kinase 2 (PLK2) inhibitor for the treatment of triple negative breast cancer by Maddi, Srinivas; Akkireddy, Ravi; Lenkalapelly, Srinivas; Srivastava, Pratima; Boruwa, Joshodeep; Deb, Chandra; Chowdhury, Arnab Roy; Jeyaraj, Duraiswamy A.; Reddy, Ramana; Reddy, Premkumar; Maniar, Manoj; Bansal, Sachin; Gupta, Jang B. (2016) - Other pharmacokinetic variables, including the total plasma clearance (CL), steady-state volume of distribution (Vss), and oral bioavailability (%F) were also calculated. IV PO Dose (mg/kg) 2 5 CL (mL/min/Kg) 77 - thalf (h) 0.5 - Vdss (L/kg) 1.7 - MRT last (h) 0.4 - Cmax, PO (ng/mL) - 64 Tmax, PO (h) - 0.25 AUC0-24h (ng h /mL), IV/PO 431 25 Bioavailability (%F) 2 1 10 100 1.000 10.000 0 2 4 6 8 10 12 P la sm a C o cn e tr at io n (n g/ m L) Time (h) IV PO Srinivas Maddi et al. Keywords: concentration; formulation; gbo-006; min; pharmacokinetics; plasma; time; water
• Potential of imaging analysis in establishing skin concentration-distance profiles for topically applied FITC-dextran 4 kDa by Kijima, Shosho; Masaki, Ryosuke; Kadhum, Wesam R.; Todo, Hiroaki; Hatanaka, Tomomi; Sugibayashi, Kenji (2015) - The concentration-distance profile in the steady state period (5 h after starting the permeation experiment) was determined by the permeation parameters of FD-4 from skin permeation profiles using the difference equation based on the Fick’s 2nd law of diffusion as shown in the Methods in the subsection Theoretical (2). Figure 2 illustrates the typical concentration-distance profile of a chemical compound across stripped skin in the present study. Keywords: clsm; concentration; distance; fd-4; fluorescence; permeation; skin
• Validated LC-ESI-MS/MS method for the determination of ivosidenib in 10 µL mice plasma: application to a pharmacokinetic study by Dittakavi, Sreekanth; Jat, Rakesh Kumar; Mallurwar, Sadanand Rangnathrao; Jairam, Ravi Kumar; Mullangi, Ramesh (2019) - Matrix effect Six different lots of plasma samples, spiked with analyte concentration levels at LQC and HQC levels were analyzed. The auto- injector carryover was determined by injecting the highest calibration standard, followed by injection of blank plasma samples. Keywords: accuracy; concentration; i.s; ivosidenib; mice; plasma; samples
• Validated HPLC method for quantification of copanlisib in mice plasma: application to a pharmacokinetic study by Zakkula, Ashok; Kurakula, Pavan Kumar; Dittakavi, Sreekanth; Daram, Prasanthi; Bestha, Ram Murthi; Zainuddin, Mohd; Trivedi, Ravi Kumar; Mullangi, Ramesh (2020) - In clinic, at efficacy dose of 0.8 mg/kg, copanlisib plasma concentrations were ~50 ng/mL at 8 h (both on day-1 and day-15) in patients with non-Hodgkin’s lymphoma and advanced solid tumors Bland-Altman plot showing the incurred sample reanalysis (ISR) data for copanlisib In the mice, plasma concentrations of copanlisib decreased mono-exponentially after intravenous administration. Keywords: concentration; copanlisib; hplc; method; mice; min; plasma; samples; time
• Validated DBS method for filgotinib quantitation in rat dried blood spots and its application to a pharmacokinetic study in rats by Dixit, Abhishek; Kiran, Vinay; Gabani, Bhavesh Babulal; Mullangi, Ramesh (2020) - Excellent correlation was observed between DBS versus plasma filgotinib concentrations, indicating that the DBS method can be used as an alternative for plasma sampling for pharmacokinetic analysis. It can directly affect the accuracy of the analysis in DBS samples. Keywords: blood; concentration; dbs; filgotinib; method; plasma; rat; samples; study; time

• Characterization of SLC transporters in human skin by Alriquet, Marion; Sevin, Karine; Gaborit, Alexandre; Comby, Pierre; Ruty, Bernard; Osman-Ponchet, Hanan (2015) - The aim of this work was to compare the expression in human skin (vs human hepatocytes and kidney) of SLC transporters included in the EMA guidance as the most likely clinical sources of drug interactions. Modulation of SLC47A1 and SLC47A2 (MATE1 and MATE2) expression was analyzed after treatment of human skin in organ-culture with rifampicin and UV irradiation. Keywords: culture; drug; expression; hepatocytes; human; kidney; mate1; rifampicin; skin; slc; transporters
• On the evaluation of the safety aspects of nanomaterial in medical device – a regulatory perspective by Chan, Christopher (2013) - 3. Risk assessment for nanomaterials For the regulatory control of nano medical devices, in addition to regulations and product pre-market review mechanisms, risk management forms the basis of nano medical device assessment and the establishment of nano medical device regulations. Acknowledgments The Office of Medical Device Evaluation (OMDE) would like to acknowledge the support of the Food and Drug Administration of Taiwan and the Center for Measurement Standards of ITRI towards OMDE’s work in nano medical device risk assessment, and all our team members who made this work feasible. Keywords: devices; human; nano; nanomaterials; nanotechnology; product; risk; safety
• Ethical Considerations of Preclinical Testing by Goldenthal, Allen (2015) - Without this initial testing, moving forward into animal testing should not be considered. If such an argument cannot be made and subsequently approved, then once again animal testing should not be considered. Keywords: animal; drug; human; testing
• Evaluation of P-glycoprotein expression in pain relevant tissues: understanding translation of efflux from preclinical species to human by Dhanikula, Renu Singh; Hoffert, Cyrla; Grant, Rebecca; Projean, Denis; Panetta, Rosemarie; O'Donnell, Dajan; Roumi, Marie (2016) - To our knowledge, there have been no reports on the differences in expression patterns of P-gp in brain tissues across various species. For double labelling, tissue sections were allowed to air dry for approximately 5 min. Keywords: antibody; brain; cord; differences; expression; human; species; spinal; tissues
• Expression of drug transporters in the human skin: comparison in different species and models and its implication for drug development by Osman-Ponchet, Hanan; Gaborit, Alexandre; Linget, Jean-Michel; Wilson, Claire E. (2017) - Conclusions It is clear that many drug transporters (both ABCs and SLCs) are present in human skin and different in vitro skin models can be used to investigate the role of drug transporters in the skin. This model most closely mimics normal skin, allowing the topical application of a great variety of products, solid, liquid, gel, cream… However, this skin model contains only one cell type, lacks skin appendages, and therefore is insufficient to adequately mimic the complexity of human skin. Keywords: drug; drug transporters; expression; function; human; skin; slc; transporters
• Molecular docking investigation of the amantadine binding to the enzymes upregulated or downregulated in Parkinson’s disease by Ionescu, Mihaela Ileana (2020) - Among other enzymes tested in the present study, APRT revealed the best results in respect of binding amantadine ionized form. The human AK5 interaction with ionized amantadine does not involve the residues from the catalytic site. Keywords: ak1; aks; amantadine; amantadine interactions; amp; binding; disease; docking; enzymes; figure; human; interactions; isoforms; parkinson; pdb; ray; redocking; residues; structures; study; substrate

• Recent advances and challenges in antibacterial drug development by Gigante, Valeria; Sati, Hatim; Beyer, Peter (2022) - The analysis covers traditional direct-acting small molecules and nontraditional antibacterial agents in clinical and preclinical development worldwide. Designing development programs for nontraditional antibacterial agents. Keywords: agents; amr; analysis; development; drug; health; pipeline
• Rapid detection of illegal selective androgen receptor modulators in unregistered supplements using a combination of selected solid-state analytical methods: Original scientific article by Jendrzejewska, Izabela; Cehlarik, Lubos; Goryczka, Tomasz; Pietrasik, Ewa; Pawlik, Natalia; Jampilek, Josef (2025) - Selective androgen receptor modulators (SARMs) have been known since the late 20th century as androgen receptor agonists/partial agonists [22]. [23] Bhasin, S.; Calof, O.M.; Storer, T.W.; Lee, M.L.; Mazer, N.A.; Jasuja, R.; Dalton, J.T. Drug insight: Testosterone and selective androgen receptor modulators as anabolic therapies for chronic illness and aging. Keywords: analysis; andarine; androgen; diffraction; dtg; figure; labs; ligandrol; modulators; o c; ostarine; products; raman; receptor; samples; sarms; supplements; testolone; xrd

• Voltammetric study of the partitioning of macrolide antibiotics at the water/nitrobenzene interface. Relationship to the pharmacokinetic profiling of macrolides by Mandic, Zoran (2014) - If this is the case, the uptake of macrolides will depend on actual membrane potential, standard transfer potential at the membrane/water interface and the difference between them.         (1) where is potential difference between two phases, and are standard transfer potential and formal transfer potential, respectively, of the ionised compound i at the organic solvent/water interface, a and c are activity and concentration of the ionised compound in the corresponding solvent, respectively, and R,T,z and F have their usual thermodynamic meaning. Keywords: aqueous; azithromycin; erythromycin; macrolides; nitrobenzene; phase; potential; transfer; water

• Rapid Screening of Permeation of Rutin through Skin Using Alaptide Enantiomers by Cernikova, Aneta; Opatrilova, Radka; Bobal, Pavel; Jampilek, Josef (2015) - Keywords (S)-Alaptide; (R)-alaptide, rutin; carboxymethyl cellulose gel; skin permeation modifiers. Skin samples were slowly thawed (at 4 °C overnight and then at ambient temperature) before each experiment. Keywords: alaptide; carboxymethyl; cellulose; enantiomers; gel; permeation; rutin; skin; time
• Permeation of Indomethacin through Skin Using Nanonized Alaptide by Cernikova, Aneta; Dohnal, Jiri; Jampilek, Josef (2015) - Skin samples were slowly thawed (at 4 °C overnight and then at ambient temperature) before each experiment [25,26]. The corrected data were expressed as the cumulative drug permeation (Qt) per unit of skin surface area using equation: Qt = C'n/A; Cernikova Keywords: alaptide; drug; enhancement; indomethacin; journal; nala; permeation; skin; time
• Preclinical pharmacokinetics, distribution, metabolism and excretion of disitamab vedotin: Original scientific article by Wang, Ling; Zhu, Limeng; Wang, Fengzhu; Dong, Lihou; Liu, Zhihao; Chen, Fang; Jiang, Jing (2025) - As a result, a deep and thorough understanding of the preclinical ADME properties of ADC drugs is full of challenges but very meaningful. Moreover, both disitamab vedotin and MMAE have higher and longer exposure in tumour tissue. Keywords: adc; bile; distribution; drug; excretion; figure; mmae; radioactivity; rats; rc48; time; tissue; total; tumour; vedotin
• Rapid Screening of Mupirocin Skin Permeation Modification by Micronized and Nanonized Alaptide by Jampilek, Josef; Opatrilova, Radka (2014) - Although it was found that nanoparticles, especially solid lipid nanoparticles also enhanced skin penetration, primarily due to an increase in skin hydration caused by the occlusive film formed by these particles on the skin surface [43], and that NALA promoted permeation of various anti-inflammatory drugs, analgesics and antimicrobial chemotherapeutics through the skin in different studies [32,33], in this case, NALA blocked permeation of mupirocin from macrogol. Skin samples were slowly thawed (at 4 °C overnight and then at ambient temperature) prior to each experiment. Keywords: alaptide; bactroban; drug; effect; mupirocin; nala; permeation; pharmaceutical; skin; time
• Use of low-field NMR for the characterization of gels and biological tissues by Abrami, Michela; Chiarappa, Gianluca; Farra, Rossella; Grassi, Gabriele; Marizza, Paolo; Grassi, Mario (2018) - Indeed, Tab. 2 clarifies that, while only one relaxation time is sufficient to describe water hydrogens relaxation in healthy volunteers, the required number of relaxation times increases when considering asthma, COPD, and CF patients. Undoubtedly, however, one of the most common LF-NMR applications regards the characterization of hydrogels whose three-dimensional architecture is able to affect water hydrogens magnetic relaxation. Keywords: characterization; equation; nmr; pores; relaxation; time; water
• Peptide retention time prediction for immobilized artificial membrane phosphatidylcholine stationary phase: method development and preliminary observations by Gussakovsky, Daniel; Neustaeter, Haley; Spicer, Victor; Krokhine, Oleg (2018) - Prediction of peptide retention times in high-pressure liquid chromatography on the basis of amino acid composition. Prediction of peptide retention times in reversed-phase high-performance liquid chromatography I. Determination of retention coefficients of amino acid residues of model synthetic peptides. Keywords: amino; c18; chromatography; figure; iam.pc.dd2; peptide; phase; prediction; residues; retention; separation; time

• Dissolution-permeation of hot-melt extruded amorphous solid dispersion comprising an experimental grade of HPMCAS by Tanaka, Hironori; Miyano, Tetsuya; Ueda, Hiroshi (2023) - The images were drawn using the peak ratio of crystalline and amorphous IMC; the lower intensity is represented as dark gray and reflects crystalline IMC. However, crystalline IMC did not appear in IMC-MX (20:80), and homogenous dispersion of amorphous IMC into the extrude was shown. Keywords: crystalline; crystalline imc; dispersion; dissolution; drug; extrusion; figure; hpmcas; imc; melt; min; permeation; pharmaceutics; process; temperature

• Characterization of biosurfactants’ micelles formation using fluorescence measurements: sodium taurocholate as case of study by Amézqueta, Susana; Fuguet, Elisabet; Cabañas, Rubén; Ràfols, Clara (2024) - Further, the direct monitoring of NaTc fluorescence or that of probes soluble in NaTc micelles does not show significant differences in the aggregation parameters (CMC and ΔC), and hence the use of external probes could be avoided. When a medium that mimics the pH and the ion strength of fasted-state intestinal fluids is used, NaTc fluorescence is not high enough, and the precision of the measurements is compromised; hence, the use of probes is advised. Keywords: bile; cmc; fluorescence; method; micelles; micellization; natc; probes; pyrene; sodium; water

• Are we ready to design oral PROTACs®? by Garcia Jimenez, Diego; Rossi Sebastiano, Matteo; Caron, Giulia; Ermondi, Giuseppe (2021) - Therefore, due to the inherent conformational limitations of PROTACs®, we selected a pool of 2D descriptors that provide an unequivocal starting point in the definition of PROTAC® chemical space For instance, the Chemical Probes Portal is starting to include a preliminary dataset of degraders along with their targets to help PROTAC® drug discovery, but it is still very limited (www.chemical- probes.org). Keywords: bro5; chemical; chemistry; degraders; descriptors; drug; fig; permeability; properties; protacs; space

• Therapeutic potential of interferon-gamma in tuberculosis by Berns, Svetlana A. ; Isakova, Julia A.; Pekhtereva, Polina (2022) - The authors concluded that adjuvant therapy with IFN-γ, especially in an aerosol form, may be beneficial for TB patients. The number of medical institutions providing inpatient and outpatient care for TB patients has decreased, and there are overlaps in data collection and reporting [5]. Keywords: complex; gamma; ifn; infection; interferon; patients; resistance; response; system; therapy; treatment; tuberculosis; type

• Development and validation of a novel method for simultaneous quantification of enzalutamide, darolutamide and their active metabolites in mice dried blood spots using LC-MS/MS: Application to pharmacokinetic study in mice by Saini, Neeraj Kumar; Sulochana, Suresh P; Zainuddin, Mohd; Mullangi, Ramesh (2018) - Recovery The efficiency of enzalutamide, N-desmethylenzalutamide, darolutamide, ORM-15341 and the IS extraction from DBS samples was determined by comparing the responses of the analyte extracted from replicate QC samples (n = 6) with the response of analyte from neat standards at equivalent concentrations by liquid extraction process. Matrix effect Matrix effect for enzalutamide, N-desmethylenzalutamide, darolutamide and ORM-15341 was assessed by comparing each analyte mean peak areas at LQC and HQC concentration after with the mean peak areas for post extracted DBS samples spiked with analyte at equivalent concentrations. Keywords: accuracy; blood; darolutamide; dbs; desmethylenzalutamide; enzalutamide; method; mice; orm-15341; precision; rsd; samples

• Assessing Blood Brain Barrier Permeability in Traumatic Brain Injury Research by Liao, George P.; Aertker, Benjamin M.; Kota, Daniel J.; Prabhakara, Karthik S.; Smith, Philipp; Hetz, Robert A.; Xue, Hasen; Bedi, Supinder; Olson, Scott D.; Cox, Charles S. (2015) - The third strategy is to use imaging with various molecular probes to detect the degree of extravasation present due to BBB permeability. We demonstrated that Alexa Fluor 680 dye conjugated to 10 kDa dextran can be used in preclinical studies of TBI to suggest the location and degree of BBB permeability associated with at-risk penumbral ADMET & DMPK 3(3) Keywords: alexa; barrier; bbb; blood; brain; fluor; imaging; injury; mri; permeability; tbi; tissue
• The Roles of Genetics in Aβ related Alzheimer's Diseases by Tian, Yin; Wang, Zhongyan; Ding, Zechao; Zhang, Huiling (2015) - In contrast with the cerebro-absorption of 11C-PiB in sporadic AD patients, FAD with APP mutation carriers show large increases in absorption in striatum, posterior cingulate (caudate nucleus, putamen), while absorption in other cortical areas also show small increases [34]. APP gene mutations: which one affecting Aβ? Keywords: apo; app; aβ1; brain; carriers; disease; formation; journal; mutation; patients; psen-1; risk
• The Impact of L2 Learning on Cognitive Aging by Cheng, Kaiwen; Deng, Yanhui; Li, Ming; Yan, Hong Mei (2015) - Many factors can affect cognitive aging and the influence of second language learning (L2 learning) cannot be ignored. Future directions concerning length of learning, frequency of use, comparison with other cognitively stimulating activities are put forward so as to clarify the relationship between language experience and cognitive aging. Keywords: aging; bilinguals; brain; cortex; decline; dementia; executive; experience; journal; language; learning; research; studies
• Causal connectivity abnormalities of regional homogeneity in children with attention deficit hyperactivity disorder: a rest-state fMRI study by Zhao, Dechun; Zheng, Shuxing; Yang, Li; Tian, Yin (2017) - The mean GCA values of three causal flows (i.e. left VLPFC  left CC1, right PoCG  left CC1, and right PoCG  right CC2) were positive and greater in ADHD group than in TDC group, while the other causal connectivity (i.e. right FEF  right SOG and right CC1  right SOG) was negative. ADHD index scores were positively correlated with GCA values of left VLPFC  left CC1 and right PoCG  right CC2 only in ADHD group (see Figure 5). Keywords: adhd; attention; brain; causal; cc1; cerebellum; disorder; gca; group; pocg; regions; right; tdc; vlpfc

• Impact of host factors on susceptibility to antifungal agents by Plotkin, Balbina; Konaklieva, Monika (2022) - Insu RPMI C. lusitaniae AmBa 0.039 (S) b 0.0195 (S) 0.5 0.0195 (S) 0.5 0.078 (S) 2 5-FCa 0.15625 (S) 0.15625 (S) 1 0.15625 (S) 1 0.00936 (S) 0.0599 Flucon a 4.0 (S) 8.0 (S) 2 2.0 (S) 0.5 16.0 (S-DD) 4 Itraa 0.5 (S-DD)b 4.0 (R) b 8 0.5 (S-DD) 1 0.0625 (S) 0.125 Micon a 0.195 (S) 0.195 (S) 1 0.195 (S) 1 2.2425 (S) 11.5 C. parapsilosis AmB 0.078 (S) 0.0195 (S) 0.25 0.039 (S) 0.5 0.078 (S) 1 5-FC 0.78 (S) 0.39 (S) 0.5 4.99 (I) b 6.4 0.312 (S) 0.4 Flucon 2.0 (S) 8.0 (S) 4 2.0 (S) 1 8.0 (S) 4 Itra 0.25 (S-DD) 0.25 (S-DD) 1 0.25 (S-DD) 1 0.25 (S-DD) 1 Micon 0.39 (S) 0.78 (S) 2 0.39 (S) 1 0.546 (S) 0.71 C. albicans AmB 0.039 (S) 0.0195 (S) 0.5 0.0195 (S) 0.5 0.039 (S) 1 5-FC 0.78 (S) 0.1 (S) 0.1299 0.39 (S) 0.5 0.078 (S) 0.1 Flucon 0.125 (S) 0.125 (S) 1 0.125 (S) 1 0.5 (S) 4 Itra 0.03125 (S) 0.0156 (S) (2) 0.03125 (S) 1 0.0625 (S) 2 Micon 0.39 (S) 0.0245 (S) 0.0629 0.78 (S) 2 0.01757 (S) 0.045 C. tropicalis AmB 0.039 (S) 0.0195 (S) 0.5 0.039 (S) 1 0.156 (S) 4 5-FC 0.195 (S) 0.0975 (S) 0.5 4.99 (I) 25.6 0.156 (S) 0.8 Flucon >128.0 (R) >128.0 (R) >1 >128 (R) Keywords: antifungal; candida; fold; glucose; insulin; medium; mic; plasma; presence; rpmi
• Pharmacokinetics evaluation of newly formulated beads alginate/gum acacia loaded ketoconazole in rabbit plasma by oral administration by Annisa, Viviane; Sulaiman, Teuku Nanda Saifullah; Nugroho, Akhmad Kharis; Nugroho, Agung Endro (2023) - The Cmax values of ketoconazole beads and pure ketoconazole have smaller values than previous studies. The results of the AG75 group include AUC of 27.8±1.01 h µg mL-1, VdF-1 of 11.5±2.4 mL, ClF-1 of 2.15±0.11 mL h-1, Cmax of 4.49±0.52 µg mL-1, and tmax of 2.5±0.5 h. Conclusion: The formulation incorporating ketoconazole beads resulted in a higher AUC0-∞ than the pure ketoconazole. Keywords: acacia; alginate; beads; drug; f-1; gum; ketoconazole; plasma; rabbit; study
• Pharmacokinetics and metabolism of ketoconazole after single ocular instillation in Sprague-Dawley rats: Original scientific article by Pu, Jiang; He, Jingsong; Xue, Ru; Gao, Ruiqi; Yu, Yaoming; Feng, Wanyong (2024) - As shown in the left plot in Figure 1, ketoconazole concentrations were measured in plasma, cornea, retina, and vitreous humour at 5, 30 and 120 min after topical ocular administration in each eye. Ocular drug metabolism in the eye is crucial for ocular therapeutics to facilitate the risk assessment and the development of potential drug candidates in the clinical stage. Keywords: administration; cornea; drug; fragment; humour; ion; ketoconazole; metabolism; metabolites; min; ocular; pharmacokinetics; plasma; rat; rats; retina
• Preclinical assessment of ulixertinib, a novel ERK1/2 inhibitor by Balakrishna, Vinod Anera; Police, Anitha; Hiremath, Rakesh; Raj, Anusha; Sulochana, Suresh P; Chandrasekhar, Devaraj V; Mohd, Zainuddin; Bhamidipati, Ravi Kanth; Mullangi, Ramesh (2017) - However in dogs the oral bioavailability was 34 % and this may be due to high unbound concentrations (fu 0.05 in dog plasma vs 0.001 and 0.003 in mice and rat plasma, respectively) in plasma and extensive metabolism in dogs thus ulixertinib had relatively high plasma clearance. In rats also post oral administration early Tmax of 0.75 h suggesting that ulixertinib has a rapid absorption from gastrointestinal tract. Keywords: administration; cyp; dogs; drug; hepatocytes; mice; min; oral; plasma; rats; species; ulixertinib
• Bioenhancing effects of naringin on atrovastatin by Venkatesh, Sama; Pagilla, Balaraju; Chiluka, Rajeswari; Alvala, Ravi; Pola, Ravi Kumar; Mullangi, Ramesh (2019) - The administration of AST alone at two test dose levels caused a statistical significant (p<0.001) dose dependent decrease in total cholesterol levels with maximum reduction observed at 2 nd h after drug administration (Table 1). The co- administration of naringin (15 and 30 mg/kg) with AST at two test dose levels (25 and 50 mg/kg) has produced significant reduction in total cholesterol levels and is quantitatively high at 2nd and 4th h after treatment when compared to AST alone treated animals (Table 1). Keywords: administration; animals; ast; cholesterol; dose; effect; levels; naringin; plasma; rats

• Correlation between A3243G and G9053A mtDNA mutations and ATP levels in diabetes mellitus patients using qPCR and electrochemical aptasensors: Original scientific article by Maksum, Iman Permana; Mulyani, Rahmaniar; Hartati, Yeni Wahyuni; Irkham; Rahmadanthi, Fanny Rizki; Zuliska, Serly; Subroto, Toto (2025) - qPCR is particularly favoured for its rapid, sensitive, and accurate detection, effectively quantifying low-level heteroplasmy in A3243G mutations. Recent advancements in qPCR assays have enabled the detection of A3243G mutations with sensitivities as low as 0.1 %, providing a reliable approach for analysing mitochondrial dysfunction linked to T2DM Keywords: a3243; atp; blood; dna; g9053a; group; levels; mutations; phenotype; samples; t2 dm; urine

• Thickness of the aqueous boundary layer in stirred microtitre plate permeability assays (PAMPA and Caco-2), based on the Levich equation by Avdeef, Alex (2022) - Aqueous boundary layer permeability data From Eqs. [11] suggested that if a single reference compound is used to calibrate the geometrical factor, then calculations of subsequent hABL should be according to the diffusivity dependence in the Levich equation: f (RPM) log PABL - ⅔ log Daq a SD n b 21 0.037 c 0.119 15 49 0.004 d 0.154 5 118 0.294 d 0.104 6 186 0.435 d 0.340 51 313 0.495 c 0.268 49 622 0.737 d 0.222 22 a PABL is aqueous boundary layer permeability determined by the pKa flux method [2,8,9]. Keywords: habl; levich; pampa; permeability
• Effect of Bioenhancers on Amoxicillin bioavailability by Barve, Kalyani; Ruparel, Kushal (2015) - Amoxcillin + Piperine (µg/ml) Amoxcillin + Ginger resin (µg/ml) 1.5 % w/w 8 % w/w 15 min 15.76±0.14 38.33±0.07*** 7.44±0.05*** 30 min 27.96±0.07 41.51±0.14*** 15.9±0.08*** 45 min 35.64±0.07 43.41±0.08*** 20.17±0.12*** 60 min 50.02±0.31 44.85±0.08 23.51±0.08*** n=6, values are written as mean ± SD, ***p<0.0001 when compared to Amoxicillin trihydrate using one way ANOVA followed by Bonferroni multiple comparison Conclusions The results demonstrate that Piperine can be effectively used in combination with Amoxicillin trihydrate to increase the biovaialbility of the later, however ginger resin did not give anticipated results of bioenhancement. Keywords: amoxicillin; drug; ginger; min; permeability; piperine; resin; trihydrate

• Explore postgraduate biomedical engineering course integration between medical signal processing and drug development: example for drug development in brain disease by Tian, Yin; Yang, Li; Wang, Zhongyan; Zhang, Huiling; Xu, Wei; Zheng, Shuxing; Zhang, Haying; Zhao, Dechun (2016) - Existing problems and solving suggestion The difficulties in the integration of CNS drug development and biomedical signal processing are: wide course content span involving multidisciplinary sciences (e.g., signal and system, signal processing and physiology, etc.), too close to the current most advanced science and technology and insufficient contact hours. Here, we discuss the curriculum reformation in biomedical signal processing course in the context of drug development and application in central nervous system, with a particular emphasis in knowledge integration. Keywords: development; drug; processing; signal
• Role of drug transporters in drug development: a qualitative and quantitative approach by Basu, Sumit; Shaik, Abdul Naveed (2017) - manuscript doi: 10.5599/admet.5.2.402 57 ADMET & DMPK 5(2) (2017) 57-58; doi: 10.5599/admet.5.2.402 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Role of drug transporters in drug development: a qualitative and quantitative approach Sumit Basu, Abdul Naveed Shaik* Guest Editors; ADMET & DMPK Center for Pharmacometrics and Systems Pharmacology, University of Florida, Orlando, Florida. The accumulation of the current in vitro and preclinical animal knowledge base is a conscious effort to link the clinical endpoints with the early developmental work which ultimately will help to identify the effect of drug transporters in the clinical settings. Keywords: development; drug; transporters
• Applications of biophysical techniques in drug discovery and development by Verbić, Tatjana (2019) - [3] provides a review about the use of biophysical methods in early phases of drug discovery, which represents an update of previously published book chapter [1]. Biophysical methods in early drug discovery. Keywords: development; discovery; drug; methods

• Efficient Transdermal Delivery of Benfotiamine in an Animal Model by Varadi, Gyula; Zhu, Zhen; Carter, Stephen G. (2015) - [17] J. R. Larkin, F. Zhang, L. Godfrey, G. Molostvov, D. Zehnder, N. Rabbani, P. J. Thornalley, PLoS We could not determine the significance of the increase in skin tissue thiamine level after 24 hrs with treatment of 3 % solubilized benfotiamine formulation due to the limited number of animal subjects involved in this experiment (N=2), however, the treatment with the 5% microcrystalline benfotiamine cream formulation resulted in more robust enhancement in skin tissue thiamine level and this value appeared significant when compared to non-treated control (p=0.03) Keywords: application; benfotiamine; dn-01; formulation; level; skin; thiamine; tissue; topical

• Food and bile micelle binding of quaternary ammonium compounds by Takeru, Sumiji; Sugano, Kiyohiko (2023) - However, the prediction of food effects on oral drug absorption is still challenging, especially for negative food effects. Keywords negative food effect; unbound fraction; simulated intestinal fluid; dynamic dialysis; intestinal membrane permeation Introduction Physiologically-based biopharmaceutics modeling (PBBM) has been widely used to predict the oral absorption of drugs [1]. Keywords: absorption; bfh; bile; binding; drug; effect; fessif; food; journal; micelle; qacs; trospium
• Food and bile micelle binding of zwitterionic antihistamine drugs by Takeuchi, Rie; Sugano, Kiyohiko (2024) - https://doi.org/10.5599/admet.2454 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Original scientific paper Food and bile micelle binding of zwitterionic antihistamine drugs Rie Takeuchi and Kiyohiko Sugano* Molecular Pharmaceutics Lab., College of Pharmaceutical Sciences, Ritsumeikan University, 1-1-1, Noji-higashi, Kusatsu, Shiga 525-8577, Japan *Corresponding Authors: E-mail: suganok@fc.ritsumei.ac.jp; Tel.: The purpose of the present study was to evaluate the bile micelle and food binding of zwitterionic antihistamine drugs as a possible mechanism for the negative food effects on their oral drug absorption. Keywords: bile; binding; cet; drugs; effect; fassif; food; micelle; zwitterionic

• Transcranial direct current stimulation in patients with Alzheimer’s disease: Challenges and responses by Yuan, Hong; Tabarak, Serik; Yu, Jing; Lei, Xu (2015) - In this study, we reviewed the importance of individual diversity among AD patients, starting with uninformative mean results. We also demonstrated variations among AD patients. Keywords: current; individual; memory; patients; sham; stimulation; studies; study; tdcs
• Analgesic effects of intraarticular anaesthetic lidocaine and methylprednisolone versus methylprednisolone alone following knee arthroscopy by Mohammed Hassan, Wahid; Mohammad, Anas Amer (2024) - Conclusion: lidocaine and methylprednisolone improve postoperative pain relief and functional recovery in knee arthroscopy patients, with most experiencing reduced pain early post-surgery (early physiotherapy) and an expedited return to walking (decreased morbidity). https://doi.org/10.5599/admet.2412 W. M. Hassan and A. A. Mohammad ADMET & DMPK 12(4) (2024) 679-685 684 Conclusions The study demonstrates that the combination of lidocaine and methylprednisolone significantly enhances postoperative pain relief and functional recovery in knee arthroscopy patients, with a majority experiencing reduced pain early post-surgery (early starting of physiotherapy) and an expedited return to walking (decrease morbidity). Keywords: age; day; gender; lidocaine; methylprednisolone; operation; pain; patients; physiotherapy; post
• Metformin effects on zonulin level in polycystic ovarian women by Ibrahim, Manal; Ahmeid, Mutaz (2020) - Polycystic ovarian syndrome and insulin resistance in white and Mexican American women: a comparison of two distinct populations. The prevalence of polycystic ovary syndrome in a community sample assessed under contrasting diagnostic criteria. Keywords: homa; insulin; metformin; patients; pcos; resistance; syndrome; testosterone; women; zonulin

• Animal models for Alzheimer’s disease: a focused review of transgenic rodent models and behavioral assessment methods by Wu, Xiaoli; Li, Jing; Zhou, Wei; Tam, Kin (2015) - 3.1.1 MWM in the development of AD model A multiple of animal model have been developed to mimic the pathology of AD for the drug screening and mechanism research. manuscript doi: 10.5599/admet.3.3.195 242 ADMET & DMPK 3(3) (2015) 242-253; doi: 10.5599/admet.3.3.195 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Review Animal models for Alzheimer’s disease: a focused review of transgenic rodent models and behavioral assessment methods Xiaoli Wu, Jing Li, Wei Zhou, Kin Tam* Faculty of Health Science, University of Macau, Macau, China *Corresponding Author: E-mail: kintam@umac.mo; Tel.: Keywords: amyloid; app; disease; memory; mice; models; mutations; mwm; nfts; plaques; rodent; tau; transgenic
• Specific frequency bands of amplitude low-frequency fluctuations in memory-related cognitive impairment: predicting Alzheimer’s disease by Tian, Yin; Ding, Zechao; Tam, Kin Yip; Wang, Zhongyan; Zhang, Huiling; Zhao, Dechun; Zhao, Yi; Xu, Wei; Zheng, Shuxing (2015) - However, few researches emphasize the changes of the VLPFC in AD patients though AD related disease could lead to learning and memory impairments, aprosexia, and executive dysfunction. ADMET & DMPK 3(3) (2015) 274-280 ALFFs of VLPFC Predict AD doi: 10.5599/admet.3.3.208 279 Conclusions In summary, we found that AD patients had abnormal ALFF in the subregions of right VLPFC, including IFJ, posterior-VLPFC, mid-VLPFC, and anterior-VLPFC. Keywords: alff; control; disease; frequency; ifj; slow5; subregions; vlpfc

• Rapid Identification of Bioactive Carbohydrazide Reaction Products by an LC-DAD-SPE-NMR Approach by Habinovec, Iva; Jednačak, Tomislav; Novak, Predrag (2015) - Compounds from reaction mixture were trapped on Hysphere Resin GP, C18 and C8 SPE cartridges (10 x 2 mm). Application of this method made it possible to identify and structurally characterise reaction products in a fast and efficient manner. Keywords: carbohydrazide; dad; min; mixture; nmr; reaction; spe
• Building in-house PBPK modelling tools for oral drug administration from literature information by Grandoni, Silvia; Cesari, Nicola; Brogin, Giandomenico; Puccini, Paola; Magni, Paolo (2019) - Human tissues Volume fraction of Phospholipids, Vph Volume fraction of Neutral lipids, Vnl Volume fraction of Water, Vw Adipose 0.002 0.79 0.18 Bone 0.0011 0.074 0.439 Brain 0.0565 0.051 0.77 =ewT+X iwT/Y+(P nlT+(0.3 P+0.7) nphT)/Y+(KaAP apT (X-1))/Y (s16) Keywords: min; p+0.7; parameters

• Special issue devoted to the 3rd World Conference on Physico- Chemical Methods in Drug Discovery and Development by Tam, Kin; Mandić, Zoran (2014) - PCMDDD-3 is organized as a biannual event and is intended to provide a place and common ground for the scientific community whose work is closely related to the application of physical chemistry in ADME and DMPK research to get together in an open and relaxing atmosphere to exchange ideas and discuss challenges. The topics of the last conference included: physico-chemical methods and instrumentation in the physico-chemical profiling of drug substances, ADME and DMPK, determination and characterization of different solid forms, hydrates and polymorphs, separation and analytical techniques of importance in medicinal chemistry and pharmaceutical research, computational methods and modelling. Keywords: chemical; pcmddd-3

• Finding a needle in a haystack by Mandic, Zoran (2013) - Little did I know at that time that the issue of accurate prediction of drug absorption in the early stages of drug discovery would become so important. Now, almost two decades later, while flicking through the pages of the second edition of Alex's book Absorption and Drug Development, I find myself astonished by how much the concept of drug absorption and its importance has progressed into a scientific discipline without which no contemporary pharmaceutical research could be considered. Keywords: absorption; book; chapter; drug

• Bile micelle binding of structurally diverse ionized drug molecules: Original scientific article by Konishi, Mayu; Sugano, Kiyohiko (2025) - http://www.pub.iapchem.org/ojs/index.pH-p/admet/index Original scientific paper Bile micelle binding of structurally diverse ionized drug molecules Mayu Konishi and Kiyohiko Sugano* Molecular Pharmaceutics Lab., College of Pharmaceutical Sciences, Ritsumeikan University, 1-1-1, Noji-higashi, Kusatsu, Shiga 525-8577, Japan *Corresponding Authors: E-mail: suganok@fc.ritsumei.ac.jp; Tel.: Bile micelles consisted of taurocholic acid (TC)/egg lecithin (15 mM/ 3.75 mM). Keywords: bile; drugs; k k; kbm,0; micelle; species

• Is there a paradigm shift in use of microsomes and hepatocytes in drug discovery and development? by Basu, Sumit; Shaik, Abdul Naveed (2016) - Among all the established in vitro experimental tools, microsomes are the mostly widely used http://www.pub.iapchem.org/ojs/index.php/admet/index ADMET & DMPK 4(2) (2016) 114-116 Use of Microsomes and Hepatocytes in Drug Discovery and Development doi: 10.5599/admet.4.2.317 115 subcellular fractions for drug metabolism studies as it is inexpensive and easy to handle [4]. In last two decades, the field of drug metabolism and pharmacokinetics (DMPK) has been considerably improved due to various reasons, i.e., routine incorporation of DMPK into early drug discovery, better understanding of drug dispositional elements (drug metabolizing enzymes and uptake/efflux transporters) and implementation of optimized DMPK properties in preclinical drug discovery and development. Keywords: discovery; drug; hepatocytes; liver; metabolism; microsomes

• Metabolism of six CYP probe substrates in fetal hepatocytes by Shaik, Abdul Naveed; Vishwakarma, Sandeep Kumar; Khan, Aleem A (2016) - Advances in drug metabolism, drug transport and drug-drug interactions in human foetus will greatly benefit the patients and clinicians alike [13]. [8] M. Garland, K.M. Abildskov, T.W. Kiu, S.S. Daniel, R.I. Stark, Drug metabolism and disposition: the biological fate of chemicals 33 (2005) 68-76. Keywords: area; chemicals; cyps; depletion; drug; hepatocytes; liver; metabolism; nifedipine; substrates; testosterone

• Realistic and critical review of the state of systemic antimicrobial peptides : Antimicrobial peptides with systemic efficacy by Wang, Guangshun; Mechesso, Abraham Fikru (2022) - Keywords Antibiotics; antimicrobial peptides; peptide design; MIC; PK; PD; systemic efficacy; toxicity; intravenous injection 1. Systemic efficacy of antimicrobial peptides While most candidates are developed for topical use, some laboratories have observed systemic efficacy for designed peptides (Table 1). Keywords: efficacy; m e; m o; n d; o n; peptide; wang

• Liposomes: from August Wassermann to vaccines against COVID-19 by Grygorieva, Ganna; Pylypenko, Daria; Krasnopolsky, Yuriy (2023) - These features of the interaction with host lipids explain the appearance of antibodies against lipids, in particular, against phospholipids [32]. However, it should be recalled that the successful empirical use of lipid nanoparticles in laboratory diagnostics of infectious diseases dates back to the beginning of the 20th century. Keywords: antibodies; antigen; antilipid; cardiolipin; chol; composition; covid-19; dpg; journal; lipid; liposomal; liposomes; mrna; structure; syphilis; vaccines

• Synthesis and biological activity of 2-[6-methyl-4-(thietan-3-yloxy)pyrimidin-2-ylthio]acetohydrazide derivatives by Meshcheryakova, Svetlana ; Shumadalova, Alina ; Beylerli, Ozal ; Gareev, Ilgiz (2021) - 1H NMR (300 MHz, CDCl3, δ, ppm): 2.35 (Z), 2.41 (E) (3Н, s, 6C–CH3,), 3.33-3.37, 3.41-3.45(E), 3.49- 3.54 (Z) (4H, m, S(CH2)2), 5.78-5.86 (E, Z) (1H, m, OCH), 6.19 (E), 6.30 (Z) (1H, s, 5C–H), 3.87 (Z), 4.29 (E) (1H, s, SCH2CO), 8.56 (Z), 9.57 (E) (1H, wid s, CONH), 1.78 (E), 1.91 (Z) s (3Н, =С(СН3)); 2.05 (Z), 2.07 (E) s (3Н, =С(СН3)). 13C NMR (125.5 MHz, CDCl3, δ, ppm): 166.02 (E, Z) (C6); 23.74 (E); 23.88 (Z) (6C-CH3); 101.43 (Z); 102.30 (E) (5CH); 168.45 (Z); 168.65(E) (4C); 67.41 (Z); 68.39 (E) (OC3); 34.10 (E); 34.76 (Z) (SC2,4); 169.40 (E); 169.48 (Z) (2C); 35.36 (Z); 35.78 (E) (2-SCH2CO); 170.42 (Z); 171.01 (E) (2-SCH2CO); 13.20 (Z), 13.81 (E) (N=C(CH3)); 11.12 (Z), 12.11 (E) (CH3); 26.22 (Z), 26.92 (E) (N=C(CH2)); 158.11 (Z), 158.39 (E) (N=C). Keywords: nmr; sch2co

• P-glycoprotein-dependent pharmacokinetics of irinotecan and its active metabolite, SN-38 in rats: Effect of verapamil by Garg, Tripta; Jaggi, Manu; Khar, Roop K.; Talegaonkar, Sushama (2015) - Data available on irinotecan absorption and disposition showed discouraging results with variable absorption, poor efficacy and toxicity profiles [7]. Mean plasma irinotecan (CPT-11) concentration-time plot for A) 20, B) 40 and C) 80 mg/kg after oral administration in control (-●-) and in verapamil (VER) treated (-■-) rats. Keywords: administration; irinotecan; oral; verapamil

• Application of the Henderson-Hasselbalch Equation to Solubility Determination by Yalkowsky, Samuel H; Patel, Raj B; Alantary, Doaa (2015) - [4]) is 0.94, only serves to bring the pKa 3.76 up to 4.70, which is identical to value of Jain et al. In order to justify their pKa value Butcher et al. have to postulate the existence of a mixed charge dimer (or higher order oligomers) using weighted, nonlinear regression which is then iterated. Keywords: pka; value
• pKa values in solubility determination using the Henderson-Hasselbalch equation by Reynolds, Derek; Tam, Kin (2015) - [3] published a note to comment on the approach that Avdeef et al. In our opinion, Avdeef et al. Keywords: pka

• Animal model investigation suggests betamethasone alters the pharmacokinetics of amikacin by Amponsah, Seth Kwabena; Opuni, Kwabena Frimpong-Manso; Donkor, Ama Asiedua (2018) - Results and Discussion Concentration-time curve of each group after amikacin samples were pooled at the various pre- determined times in the SD rats is shown in Figure 1. Also considering the fact that amikacin treatment for newborns with infection could range from 5 – 7 days, there is the likelihood that Day 1 blood samples for pharmacokinetic (clearance) estimations may not reflect the effect of prenatal administration of betamethasone on amikacin. Keywords: amikacin; animal; betamethasone; newborns; preterm; rats; saline

• Changing trends in use of hepatocytes and microsomes for evaluating metabolism studies in drug discovery by Shaik, Abdul Naveed (2016) - In the near future, we will call for more special issues related to drug metabolisms and drug transporters. 60 ADMET & DMPK 4(2) (2016) 60-61; doi: 10.5599/admet.4.2.320 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Changing trends in use of hepatocytes and microsomes for evaluating metabolism studies in drug discovery Abdul Naveed Shaik Guest Editor: Keywords: drug; hepatocytes

• Evaluation of pharmacokinetics of warfarin from validated pharmacokinetic-pharmacodynamic model by Sridharan, Kannan; Al Banna, Rashed; Husain, Aysha (2021) - Experimental Study ethics and design The study was retrospective carried out as a part of warfarin pharmacogenomics study after obtaining approval from institutional ethics committee and consent from study participants. Association between liver weights and predicted pharmacokinetic parameters Scatterplot revealed significant correlations between warfarin CL (r=0.2; p=0.04) and Vd (r= -0.2; p=0.03) with weight of the liver (Figure 3). Keywords: cmax; day; parameters; study; warfarin

• Investigating antimicrobial features and drug interactions of sedoanalgesics in intensive care unit: an experimental study by Unlu, Ozge ; Bingul, Emre; Kesi̇ci̇, Sevgi; Demirci, Mehmet (2021) - Abstract Study Objective: Aim of this study was to evaluate antimicrobial effects and interaction between analgesic combinations of fentanyl citrate, dexmedetomidine hydrochloride and tramadol hydrochloride on Staphylococcus aureus, Klebsiella pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Candida albicans which are some of the most common nosocomial infection related microorganisms. Main Results: According to microdilution assays tramadol has shown the most efficient antimicrobial activity also it has been observed that 10 g/ml concentrated dexmedetomidine has antimicrobial effects on S. aureus, K. pneumoniae and P. aeruginosa. Keywords: coli; dexmedetomidine; fentanyl; growth; hydrochloride; tramadol

• Comparative pharmacokinetics of ceftriaxone and tazobactam (8:1) between healthy and Escherichia coli induced diarrhoeic birds by U.C., Mithin; Buragohain, Rinku; Das, Pradip; Mandal, Tapan; Hansda, Rabindra; Joardar, Siddhartha; Samanta, Indranil; Sar, Tapas (2022) - Therefore, the present research work was undertaken to study the pharmacokinetic profile of ceftriaxone-tazobactam combination (8:1) in healthy and ESBL E. coli infected broiler, Rhode Island Red and Haringhata Black birds following single intramuscular dosing and to evaluate the efficacy of ceftriaxone-tazobactam combination (8:1) against ESBL producing E. coli infection. Pharmacokinetics of ceftriaxone and tazobactam in healthy and ESBL E. coli infected broiler birds following single intramuscular administration of ceftriaxone-tazobactam combination (8:1) Ceftriaxone persisted for a longer duration of 8 h in BCT-D birds compared to BCT-H birds (Figure 2). Keywords: birds; broiler; ceftriaxone; coli; combination; esbl; island; kg-1; ml-1; red; rhode; tazobactam

• Nanomaterials in biomedicine, drug delivery and pharmaceutical analysis by Karimi-Maleh, Hassan; Sanati, Afsaneh L.; Darabi, Rozhin (2023) - Its scope includes the role of nanomaterials in drug delivery and the development of new drug formulations, novel polymorphs and other solid-state forms, the influence of nanotechnology on the physico-chemical properties of importance to adsorption, distribution and metabolism of drugs, tissue and cellular uptake of nanomaterials and their treatment potential and application of nanomaterials as catalysts for the sensitive and selective determination of biologically active compounds. Nanomaterials rapidly penetrate a diverse area of biomedicine and pharmaceutical research, including drug development, drug delivery, tissue engineering and medicinal chemistry. Keywords: drug; nanomaterials; preparation

• Research in neurodegenerative diseases: challenges and solutions by Tam, Kin (2015) - manuscript doi: 10.5599/admet.3.3.217 154 ADMET & DMPK 3(3) (2015) 154; doi: 10.5599/admet.3.3.217 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index Editorial Research in neurodegenerative diseases: challenges and solutions Kin Tam Editor: ADMET & DMPK E-mail: kin_tam@iapchem.org The need of effective medicines for the treatment of neurodegenerative diseases, such as Alzheimer’s disease and Parkinson’s disease, is expected to increase strongly in the coming decades. Keywords: diseases; papers

• Electrochemical Synthesis, Structure Elucidation and Antibacterial Evaluation of 9a-aza-9a-chloro-9a-homoerythromycin A by Mandic, Zoran; Lazarevski, Gorjana; Weitner, Zlatko; Novak, Predrag; Maršić, Nataša; Budimir, Ana (2014) - Against the rest of tested strains (Staphylococcus aureus PSCB0329, S. aureus PSCB0538, S. aureus PSCB0330, S. aureus PSCB0331, S. pneumoniae PSCB0328, S. pneumoniae PSCB0326, S. pyogenes PSCB0543, S. pyogenes PSCB0544, S. pyogenes PSCB0545, E. coli ATCC 25922) Keywords azithromycin; electrochemical chlorination; N-chloro lactam; antbacterial activity Introduction 9a-aza-9a-homoerythromycin A, 1, belongs to a class of 15-membered ring macrolides which are important intermediates for the preparation of novel antibacterial compounds with improved antibiotic properties. Keywords: atcc; compound; zagreb

• Electrochemistry of redox-active Mn porphyrin-based SOD mimic MnTnBuOE-2-PyP5+ - Study of Redox Species Involved in ROS/RNS Scavenging by Weitner, Tin; Batinić-Haberle, Ines (2014) - [20] D. H. Weitzel, A. Tovmasyan, K. A. Ashcraft, Z. Rajic, T. Weitner, C. Liu, W. Li, A. F. Buckley, M. R. Prasad, K. H. Young, R. M. Rodriguiz, W. C. Wetsel, K. B. Peters, I. Spasojevic, J. I. Herndon II, I. Batinic-Haberle and M. W. Dewhirst Molecular Cancer Therapeutics, (2014) in revision. [4] I. Batinic-Haberle, Z. Rajic, A. Tovmasyan, J. S. Reboucas, X. Ye, K. W. Leong, M. W. Dewhirst, Z. Vujaskovic, L. Benov and I. Spasojevic Free Radical Biology and Medicine 51 (2011) 1035-53. Keywords: batinic; haberle; mntnbuoe-2; pyp5; redox

• Computational screens can speed up the discovery of pharmaceutical cocrystals by Prohens, Rafel; Hunter, Christopher A (2018) - Keywords Cocrystals; virtual screen; H-bond parameters The search for new cocrystals of APIs can be very expensive in terms of time and economical resources since the number of potential coformers available with suitable toxicity profiles is huge. The method has been further applied in combination with experimental screening techniques to optimize the search for new cocrystals with improved physicochemical properties of APIs, such as nalidixic acid [9] spironolactone, griseofulvin [10], zafirlukast Keywords: cocrystal; hunter; prohens; screening

• Propelling drug research by physical chemistry by Gabelica Markovic, Vesna (2013) - It is a very valuable book for anyone interested in physicochemical methods in drug discovery and development. The strength of this book lies in its excellent review of numerous physicochemical methods. Keywords: chapter; drug

• Ten years for PhysChem Forum-Japan (PCF-J) by Mano, Takashi (2022) - The original committee members organised the 1st PhysChem Forum Japan (PCF-J) meeting on 25th Feb. 2014 (a permission of the use of “PhysChem Forum” was granted by the ‘European’ PhysChem Forum in advance). Keywords Physical-chemical property; oral absorption; PhysChem Forum; International Association of Physical Chemists; Konstantin Tsinman. Keywords: forum; pcf; physchem

• In memoriam - Konstantin Tsinman (1968 - 2020) by Avdeef, Alex (2022) - In memoriam: Konstantin Tsinman (1968 - 2020) doi: https://doi.org/10.5599/admet.1556 241 ADMET & DMPK 10(4) (2022) 241-244; doi: https://doi.org/10.5599/admet.1556 Open Access : ISSN : 1848-7718 http://www.pub.iapchem.org/ojs/index.php/admet/index In memoriam Konstantin Tsinman (1968 - 2020) Keywords: https://doi.org/10.5599/admet.1556; konstantin; pion; research

• Editorial Board Member: brief biography by Chan, Christopher (2013) - The Industrial Technology Research Institute is a not-for-profit organization established by the Taiwan government to assist the industrial development of Taiwan, and the Office of Medical Device Evaluation is a unit under the Center for Measurement Standards that currently can perform medical device Good Manufacturing Practice audit, and Class II IVD product technical review under the authorization of the Food and Drug Administration of Taiwan. In addition to medical device evaluation OMDE also undertake medical device policy study projects to support the development and harmonization medical device regulation. Keywords: device; medical

Epilogue

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Created: 2025-12-24