item: #1 of 70 id: cord-002026-wybmer7o author: Chung, Dong Hoon title: HTS-Driven Discovery of New Chemotypes with West Nile Virus Inhibitory Activity date: 2010-03-12 words: 3807 flesch: 55 summary: A ten point, two-fold dilution series of compound concentrations ranging from 30 µM to 0.059 µM were used in the assay. A CPE based antiviral screen is expected to elucidate a wider range of antiviral compounds than other target based assays. keywords: activity; addition; antiviral; assay; cells; change; compounds; concentration; control; dmso; dose; figure; format; high; hts; infection; inhibition; inhibitory; library; mean; media; mem; moi; mpa; nile; plate; positive; primary; protease; replication; response; screen; screening; signal; sri-19093; standard; target; throughput; time; titer; values; viral; virus; west; wnv cache: cord-002026-wybmer7o.txt plain text: cord-002026-wybmer7o.txt item: #2 of 70 id: cord-003070-6oca1mrm author: Shen, Wen-Jun title: RPiRLS: Quantitative Predictions of RNA Interacting with Any Protein of Known Sequence date: 2018-02-28 words: 5485 flesch: 51 summary: As the number of available RNA-protein binding experimental data has increased rapidly due to high-throughput sequencing methods, it is now possible to measure and understand RNA-protein interactions by computational methods. RNA-protein interactions (RPIs) have a critical influence on post-transcriptional gene regulation [1] [2] keywords: accuracy; acid; amino; base; best; classifier; coli; computational; cross; data; data set; different; escherichia; gene; information; interactions; ipminer; kernel; layer; learning; lncrna; long; measure; method; model; networks; non; nrpi13153; nucleic; organisms; pairs; performance; positive; prediction; properties; protein; protein interactions; results; rna; rnas; rpi2662; rpirls; rpirls-7; rpis; sensitivity; sequences; set; sets; size; specificity; squares; table; template; terms; training; transcriptional; validation cache: cord-003070-6oca1mrm.txt plain text: cord-003070-6oca1mrm.txt item: #3 of 70 id: cord-003297-fewy8y4a author: Wang, Ming-Yang title: A Comprehensive In Silico Method to Study the QSTR of the Aconitine Alkaloids for Designing Novel Drugs date: 2018-09-18 words: 9161 flesch: 41 summary: key: cord-003297-fewy8y4a authors: Wang, Ming-Yang; Liang, Jing-Wei; Mohamed Olounfeh, Kamara; Sun, Qi; Zhao, Nan; Meng, Fan-Hao title: A Comprehensive In Silico Method to Study the QSTR of the Aconitine Alkaloids for Designing Novel Drugs date: 2018-09-18 journal: Molecules DOI: 10.3390/molecules23092385 sha: doc_id: 3297 cord_uid: fewy8y4a A combined in silico method was developed to predict potential protein targets that are involved in cardiotoxicity induced by aconitine alkaloids and to study the quantitative structure–toxicity relationship (QSTR) of these compounds. Hence, PPI networks with protein targets related to aconitine alkaloid cardiotoxicity must enable us to find the most relevant protein for aconitine toxicity and to understand the mechanism at the network level. keywords: 2v7o; aconitine; aconitine alkaloids; active; activity; alkaloids; amino; analysis; application; articles; atom; betweenness; binding; biological; calcium; camkii; cardiotoxicity; centrality; channel; clinical; clusterone; clusters; combined; comfa; complex; components; compounds; comsia; consistent; contour; cytonca; cytoscape; database; dependent; design; discovery; dna; docking; drug; dynamics; effects; electrostatic; essential; experimental; favorable; field; figure; fit; frequency; functions; hba; higher; information; interactions; internal; kinase; leverage; ligand; low; map; maps; measurements; mechanism; method; model; moiety; molecular; molecules; motion; ndcg; network; node; novel; number; parameters; pathways; pharmmapper; pld; potassium; potential; ppi; ppi network; prediction; proteins; qsar; qstr; receptor; related; relationship; research; result; scores; server; set; silico; simulation; sites; sodium; software; steric; string; structure; studies; study; sub; table; target; toxicity; type; values; voltage cache: cord-003297-fewy8y4a.txt plain text: cord-003297-fewy8y4a.txt item: #4 of 70 id: cord-003329-zhauwxye author: Wu, Huaxing title: Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus date: 2011-08-03 words: 3615 flesch: 46 summary: On such basis, explicitly solvated docking and molecular dynamic (MD) methods were applied to investigative the binding mode involving patchouli alcohol with influenza virus NA protein. The CC(50) of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC(50) of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. keywords: acid; active; activity; adsorption; alcohol; analysis; anti; antiviral; arg152; asp151; cells; concentration; control; day; days; design; dose; energy; essential; figure; glu119; h2n2; harbin; infected; infection; influenza; influenza virus; inhibitors; interaction; mdck; mean; mice; molecular; mtt; neuraminidase; novel; oil; oseltamivir; patchouli; patchouli alcohol; pretreatment; protein; replication; residues; site; structure; tyr406; virus; viruses; weight cache: cord-003329-zhauwxye.txt plain text: cord-003329-zhauwxye.txt item: #5 of 70 id: cord-003341-z5w56zeq author: Nguyen, Thi Thanh Hanh title: In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4 date: 2013-12-13 words: 3422 flesch: 45 summary: Activity of recombinant dengue 2 virus NS3 protease in the presence of a truncated NS2B co-factor, small peptide substrates, and inhibitors Structure of dengue virus: Implications for flavivirus organization, maturation, and fusion Expression of dengue virus e glycoprotein domain III in non-nicotine transgenic tobacco plants The global distribution and burden of dengue The dengue viruses Biological characteristics of dengue virus and potential targets for drug design Identification and biochemical characterization of small-molecule inhibitors of west nile virus serine protease by a high-throughput screen A novel, potential dengue virus NS2B/NS3 protease inhibitor, BP13944, was discovered through high-throughput screening with dengue replicon cells Use of parallel validation high-throughput screens to reduce false positives and identify novel dengue NS2B-NS3 protease inhibitors Peptide inhibitors of dengue virus NS3 protease. Part 1: Warhead Peptide inhibitors of dengue virus NS3 protease. keywords: acid; active; activity; amc; amino; assay; buffer; compounds; culture; dengue; denv; discovery; docking; enzyme; fever; figure; fluorescence; gene; gvss; high; inhibition; inhibitors; interactions; kinetic; molecular; novel; ns2b; ns3; ns3(pro; pastoris; peptide; period; ppiczαa; pro; protease; protein; recombinant; residues; screening; site; structure; substrate; table; throughput; tris; usa; values; virtual; virus; yeast cache: cord-003341-z5w56zeq.txt plain text: cord-003341-z5w56zeq.txt item: #6 of 70 id: cord-003342-wmmbkmrg author: Wang, De-Guo title: Two Methods for Increased Specificity and Sensitivity in Loop-Mediated Isothermal Amplification date: 2015-04-07 words: 2870 flesch: 35 summary: However, there is still no report studying non-specific amplification and cause of false positive results in LAMP reactions at present. For practical application of LAMP as well as reduction of the rate of false positive results in LAMP reactions, most researches currently focus on development of closed-tube detection to reduce aerosol pollution and cross pollution, which include the use of turbidity [12] , SYBR Green keywords: amplification; assay; commercial; controls; detection; dmso; dna; hlya; isothermal; lamp; listeria; loop; method; min; mixtures; monocytogenes; non; pcr; polymerase; positive; primers; rapid; reaction; reported; results; sensitivity; specific; specificity; table; tang; temperature; template; time; touchdown cache: cord-003342-wmmbkmrg.txt plain text: cord-003342-wmmbkmrg.txt item: #7 of 70 id: cord-003344-rhld75dy author: Zhong, Dongwei title: Discovery of Metal Ions Chelator Quercetin Derivatives with Potent Anti-HCV Activities date: 2015-04-16 words: 4031 flesch: 43 summary: The maintenance of anti-HCV activities for quercetin-3-O-benzoic acid-ester derivatives instead of the 3-O-aliphatic substituents revealed that the introduction of an electronegative carbonyl group at 3-O position could enhance the chelation ability between the inhibitor and metal ions, which contribute to the binding affinity in a similar way as the 3-hydroxyl group. Accordingly, two novel quercetin analogues, 7-O-arylmethylquercetin derivatives and quercetin-3-O-benzoic acid ester derivatives, were synthesized and evaluated for anti-HCV activities. keywords: acid; active; activities; activity; analogues; anti; antiviral; benzoic; benzyl; carbonyl; cell; ch2cl2; chelation; chromatography; compound; crude; dependent; derivatives; dka; docking; ec50; ester; figure; gel; group; hcv; hepatitis; huh7.5.1; hydrogen; inhibition; ions; magnesium; metal; mixture; mmol; novel; ns5b; polymerase; position; potent; quercetin; reported; results; rna; silica; site; solution; substituents; synthesis; virus; water cache: cord-003344-rhld75dy.txt plain text: cord-003344-rhld75dy.txt item: #8 of 70 id: cord-003427-0dddrh4e author: El-Faham, Ayman title: Synthesis, Characterization, and Anti-Cancer Activity of Some New N′-(2-Oxoindolin-3-ylidene)-2-propylpentane hydrazide-hydrazones Derivatives date: 2015-08-13 words: 4077 flesch: 44 summary: The compounds 3e, 3f, 4a, 4c, and 4e revealed promising anti-cancer activities in tested human tumour cells lines (IC(50) values between 3 and 7 μM) as compared to the known anti-cancer drug 5-Fluorouracil (IC(50) Similarly, the starting compounds 1 and 2 did not show promising anti-cancer activity in HepG2 cells. keywords: acid; activities; activity; addition; anti; antibacterial; assay; biological; bond; cancer; cells; compounds; corresponding; data; derivatives; different; ethanol; evaluation; figure; group; hek293; hepg2; human; hydrazide; hydrazone; hydrogen; ic50; inhibitors; isatin; jurkat; leukaemia; lines; liver; moiety; molecules; mtt; new; nmr; normal; novel; observed; peaks; potent; ppm; prepared; ray; reported; ring; singlet; structure; synthesis; table; usa; valporic; valproic; values cache: cord-003427-0dddrh4e.txt plain text: cord-003427-0dddrh4e.txt item: #9 of 70 id: cord-003539-tazd6dvm author: Yang, Kun title: Design and Synthesis of Novel Anti-Proliferative Emodin Derivatives and Studies on their Cell Cycle Arrest, Apoptosis Pathway and Migration date: 2019-03-02 words: 9472 flesch: 44 summary: For the synthesis of compounds 3a-3z, compound 1 was subjected to an alkylation reaction with 2-iodoethanol and Cs 2 CO 3 in DMF that resulted in compound 2. For the synthesis of compounds 3a-3z, compound 1 was subjected to an alkylation reaction with 2-iodoethanol and Cs2CO3 in DMF that resulted in compound 2. keywords: 3a-3z; acid; activities; activity; alanine; aminium; amino; analysis; anti; apoptosis; apoptotic; boc; cancer; caspase; cells; chromatography; column; compound; compound 7a; concentration; control; cytochrome; dependent; derivatives; dihydroanthracen-2; dioxo-9,10; drug; emodin; figure; flash; flash chromatography; gel; general; general procedure; group; hepg2; hepg2 cells; human; induced; inhibitory; methyl-9,10; migration; mitochondrial; mmol; nmr; novel; pathway; phase; phase flash; potent; procedure; products; proliferative; proliferative activity; reduced; results; reverse; reverse phase; salt; silica; solid; synthesis; table; tfa; treatment; trifluoroacetate; tumor; usa; values; yellow; yield cache: cord-003539-tazd6dvm.txt plain text: cord-003539-tazd6dvm.txt item: #10 of 70 id: cord-003990-15rg623y author: Yadav, Yogesh title: Synthetic, Structural, and Anticancer Activity Evaluation Studies on Novel Pyrazolylnucleosides date: 2019-10-30 words: 5122 flesch: 47 summary: H α Calculated for C 16 H 16 N 3 O 3 Cl Mp = 74-75 • C; R f = 0.39 (7% methanol in chloroform) 1053 cm −1 ; 1 H NMR (300 MHz, DMSO-d 6 ): δ 2.34-2.39 (1H, m, C-2 H α ), 2.92-2.98 (1H, m, C-2 H β The evolution of antiviral nucleoside analogues: A review for chemists and non-chemists. The synthesis of novel pyrazolylnucleosides 3a–e, 4a–e, 5a–e, and 6a–e are described. keywords: acid; activities; activity; analogues; anomeric; anticancer; antiviral; avance; bruker; c-5; cancer; cell; chemical; chlorosugar; compounds; corresponding; derivatives; h nmr; hmbc; human; inhibition; isomeric; lines; modified; n-1; new; nmr; noesy; novel; nucleosides; positional; proton; pyrazole; pyrazolyl; pyrazolyl nucleosides; regioisomers; ring; scheme; series; shifts; sodium; spectra; studies; synthesis; table; values; virus cache: cord-003990-15rg623y.txt plain text: cord-003990-15rg623y.txt item: #11 of 70 id: cord-011969-bvun86eh author: Diaconu, Dumitrela title: Hybrid Quinoline-Sulfonamide Complexes (M(2+)) Derivatives with Antimicrobial Activity date: 2020-06-26 words: 5569 flesch: 46 summary: This signal is missing in the spectra of QBSC complexes, which is a solid prove for the complexation with the metal ion. We could also notice that the signals of hydrogen atoms near the metal ion H2, H3, H4 (from pyridine ring), are deshielded in QBSC complexes with about 0.30 ppm due to the powerful deshielding The band from 3267 cm −1 (medium intensity), which is corresponding to the N-H stretching vibration in the free ligand, is missing in the spectra of the complexes, confirming deprotonation of the nitrogen atom of the sulfonamide and its coordination to the metal ion. keywords: active; activity; albicans; aminoquinoline; antibacterial; antifungal; antimicrobial; atcc; aureus; biological; bonds; candida; chemical; coli; complexes; compounds; data; derivatives; design; escherichia; figure; free; group; hybrid; inhibition; ion; ligand; metal; n-(quinolin-8; new; nmr; ppm; properties; qbsc; qbsc complexes; qsc; quinoline; ray; results; shift; spectra; staphylococcus; step; structure; sulfonamide; sulfonamide complexes; synthesis; tested; type cache: cord-011969-bvun86eh.txt plain text: cord-011969-bvun86eh.txt item: #12 of 70 id: cord-012391-53hgrs40 author: Miazga-Karska, Malgorzata title: Anti-Acne Action of Peptides Isolated from Burdock Root—Preliminary Studies and Pilot Testing date: 2020-04-27 words: 6464 flesch: 45 summary: Briefly, 0.5 µL of peptide sample was mixed with the same volume of matrix saturated solution containing α-cyano-4-hydroxycinnamic acid (HCCA, Bruker, Bremen, Germany) and 2,5-dihydroxy benzoic acid (DHB, Bruker, Bremen, Germany). Other authors also report favorable, high SI values of tested antimicrobial peptides (AMPs) from plants and the possibilities of their application in the cosmetics, medical, food, or agriculture industries keywords: acid; acne; active; activity; aerobic; agar; aldrich; alginate; amps; analysis; antibacterial; antibiotic; antimicrobial; antioxidant; arctium; assay; aureus; bacteria; bhi; biofilm; broth; burdock; cell; chitosan; concentration; control; data; database; determined; dpph; dressing; effects; figure; fraction; free; freeze; germany; gram; growth; high; higher; incubation; index; infections; inhibition; isolated; lappa; low; maldi; medium; mixture; modified; molecular; nature; negative; noise; p peptide; pcm; peaks; peptides; plant; plates; positive; properties; propionibacterium; proteins; purification; radical; range; results; root; sample; scavenging; selectivity; sequence; sigma; signal; skin; solution; spectrum; strains; table; test; therapeutic; tof; usa; values cache: cord-012391-53hgrs40.txt plain text: cord-012391-53hgrs40.txt item: #13 of 70 id: cord-012419-tmcm4kxn author: Nakamura, Shingo title: Concentrated Bioshell Calcium Oxide (BiSCaO) Water Kills Pathogenic Microbes: Characterization and Activity date: 2020-06-30 words: 5765 flesch: 41 summary: The CFU/mL following treatment with undiluted and 2-fold diluted BiSCaO Water and 0.8 and 0.2 wt% of NaClO, BiSCaO dispersion, and colloidal dispersion were below the detection limit for both TC and CF, whereas low counts of TC and CF remained viable following treatment with 4-fold diluted BiSCaO Water and 0.05 wt% of NaClO, BiSCaO dispersion, and colloidal dispersion ( Figure 4 ). The CFU/mL following treatment with undiluted and 2-fold diluted BiSCaO Water and 0.8 and 0.2 wt% of NaClO, BiSCaO dispersion, and colloidal dispersion were below the detection limit for both TC and CF, whereas low counts of TC and CF remained viable following treatment with 4-fold diluted BiSCaO Water and 0.05 wt% of NaClO, BiSCaO dispersion, and colloidal dispersion ( Figure 4 ). keywords: activities; activity; aureus; bisca(oh; biscao; biscao dispersion; biscao water; calcium; cfu; clean; coli; colloidal; colloidal dispersion; contaminated; cryo; detection; diluted; disinfection; dispersion; dry; electron; ethanol; figure; final; fold; high; images; iodine; japan; limit; ltd; masks; microbicidal; min; naclo; nanoparticles; povidone; powder; scallop; sem; shell; spraying; surface; surgical; suspension; temperature; tokyo; treatment; virus; water; wt%; ×10 cache: cord-012419-tmcm4kxn.txt plain text: cord-012419-tmcm4kxn.txt item: #14 of 70 id: cord-013364-pq9obtrc author: Capasso, Domenica title: Selective Targeting of αvβ5 Integrin in HepG2 Cell Line by RGDechi15D Peptide date: 2020-09-19 words: 6563 flesch: 41 summary: Here we demonstrated the ability of the peptide to diminish both adhesion and invasion of HepG2 cells, an in vitro model system for hepatocellular carcinoma, to reduce the cell proliferation through an apoptotic process, and to interfere with the PI3K pathway. Data indicate that HepG2 cells show an average surface expression of 1.7 × 10 4 ± 1000 αvβ5 (Figure 1 ), while they do not present a significant amount of αvβ3 receptors. keywords: ability; able; activation; activity; adhesion; akt; angiogenesis; anti; antibody; apoptosis; assay; beta; cancer; capability; carcinoma; caspase-3; cell; coated; control; decrease; different; effect; endothelial; events; experiments; expression; figure; formation; good; growth; hcc; hepatocellular; hepg2; hepg2 cell; incubation; inhibition; integrin; invasion; k562; line; liver; lysates; matrix; metastasis; migration; min; model; pathway; peptide; percentage; phosphorylation; pi3k; process; proliferation; protein; receptor; respect; results; rgdechi15d; rgdechi15d peptide; selective; signaling; specific; surface; survival; treatment; tumor; untreated; usa; vitronectin; α5β1; αvβ3; αvβ5; αvβ5 integrin cache: cord-013364-pq9obtrc.txt plain text: cord-013364-pq9obtrc.txt item: #15 of 70 id: cord-013366-sbdtpsz6 author: Ramírez-Pérez, Sergio title: Downregulation of Inflammatory Cytokine Release from IL-1β and LPS-Stimulated PBMC Orchestrated by ST2825, a MyD88 Dimerisation Inhibitor date: 2020-09-21 words: 5782 flesch: 37 summary: The interleukin (IL)-1 cytokine family-Balance between agonists and antagonists in inflammatory diseases Interactive sites in the MyD88 Toll/interleukin (IL) 1 receptor domain responsible for coupling to the IL1beta signaling pathway Peptide-mediated interference of TIR domain dimerisation in MyD88 inhibits interleukin-1-dependent activation of NF-{kappa}B IRAK1 and TRAF6 knockdown in human chondrocytes inhibits interleukin-1-induced matrix metalloproteinase-13 gene expression and promoter activity by impairing MAP kinase activation Disrupting myddosome assembly in diffuse large B-cell lymphoma cells using the MYD88 dimerisation inhibitor ST2825 Neuron-specific effects of interleukin-1β are mediated by a novel isoform of the IL-1 receptor accessory protein A central nervous system-restricted isoform of the interleukin-1 receptor accessory protein modulates neuronal responses to interleukin-1 The death domain-containing protein Unc5CL is a novel MyD88-independent activator of the pro-inflammatory IRAK signaling cascade Interleukin-1 family cytokines and mast cells: Activation and inhibition CAR-T cell therapy causes inflammation by IL-1 which activates inflammatory cytokine mast cells: Anti-inflammatory role of IL-37 Induction of pro-inflammatory cytokines (IL-1 and IL-6) and lung inflammation by Coronavirus-19 (COVI-19 or SARS-CoV-2): Anti-inflammatory strategies This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution The authors declare no conflict of interest. The IL-1β activity implicates binding between this cytokine and the IL-1R type I (IL-1RI), this binding triggers the interaction of Toll-IL-1-receptor (TIR) domains followed by MyD88 recruitment and downstream signalling cascades, which converge in the activation of several transcription factors and pro-inflammatory cytokine production [2, 6] . keywords: activation; anti; blood; cells; concentration; csf; cytokines; dependent; differentiation; dimerisation; diseases; effect; expression; factor; high; human; ifn; il-1ra; il-1β; il-6; inflammatory; inflammatory cytokines; inhibition; interleukin-1; levels; like; lps; mediators; molecule; myd88; pathway; pbmc; production; protein; receptor; recruitment; regulation; response; results; rhil-1β; role; secretion; signalling; significant; specific; st2825; stimulation; studies; study; table; tlr4; tnf; toll; transcription; vegf cache: cord-013366-sbdtpsz6.txt plain text: cord-013366-sbdtpsz6.txt item: #16 of 70 id: cord-013412-gj443yei author: Lebedeva, Natalya Sh. title: The Application of Porphyrins and Their Analogues for Inactivation of Viruses date: 2020-09-23 words: 13472 flesch: 42 summary: There are several different types of photosensitized oxidation which may be important in biological systems Photodynamic efficiency: From molecular photochemistry to cell death Singlet oxygen-mediated damage to proteins and its consequences Effect of irradiation spectral range on porphyrin-Protein complexes Sewage bacteriophage inactivation by cationic porphyrins: Influence of light parameters Photodynamic inactivation of bacteriophage MS2: The A-protein is the target of virus inactivation TMPyP functionalised chitosan membrane for efficient sunlight driven water disinfection Oxidation of virus proteins during UV254 and singlet oxygen mediated inactivation Photodynamic inactivation of mammalian viruses and bacteriophages Photo-oxidation of proteins and its role in cataractogenesis Oxidative modification of cytochrome c by singlet oxygen. The most serious human diseases caused by RNA viruses are Ebola hemorrhagic fever, SARS, COVID-19, rabies, influenza, hepatitis C and E, West Nile fever, poliomyelitis, measles, etc. keywords: acid; activity; affinity; analogues; antiviral; approach; attachment; authors; bases; binding; blood; capsid; carborane; case; cationic; cationic porphyrins; cd4; cell; changes; chemical; cleavage; complex; complexes; compounds; concentration; damage; different; dna; duplex; effect; electron; energy; enveloped; ester; example; external; figure; formation; free; fusion; genetic; genome; glycoprotein; gp120; gp120 protein; gp41; group; guanine; high; hiv; hiv-1; host; host cell; human; important; inactivation; infections; influenza; inhibition; interaction; intercalation; introduction; large; linking; lipid; main; material; mechanism; membrane; meso; metal; methods; new; number; oxidation; oxygen; p&a; p&as; peripheral; photochemical; photodynamic; photoinactivation; photoinduced; photosensitizer; porphyrins; possible; potential; process; promising; protease; protein; protoporphyrin; quadruplexes; reaction; receptor; region; replication; results; reverse; rna; rna viruses; selectivity; similar; singlet; small; soret; stage; structure; studies; substituents; sulfonated; surface; target; targeting; tmpyp4; transfer; type; viral; viral rna; virion; virucidal; virus; viruses cache: cord-013412-gj443yei.txt plain text: cord-013412-gj443yei.txt item: #17 of 70 id: cord-034363-6uscua0y author: Cerda-Cavieres, Christopher title: Synthesis, Docking, 3-D-Qsar, and Biological Assays of Novel Indole Derivatives Targeting Serotonin Transporter, Dopamine D2 Receptor, and Mao-A Enzyme: In the Pursuit for Potential Multitarget Directed Ligands date: 2020-10-10 words: 7620 flesch: 42 summary: On the other hand, when the acetanilide portion, connected to the indolylpropylpiperazinyl fragment, was functionalized with a fluorine atom (at C-2) and a morpholino ethylcarboxamide, the best affinities were obtained when the bulkier substituent was located at meta position (compounds 13c, 13g, and 13k). On the other hand, when the acetanilide portion, connected to the indolylpropylpiperazinyl fragment, was functionalized with a fluorine atom (at C-2) and a morpholino ethylcarboxamide, the best affinities were obtained when the bulkier substituent was located at meta position (compounds 13c, 13g, and 13k). keywords: 13a; 13i; activity; affinities; affinity; analysis; anhydrous; aromatic; atom; benzoxazine; binding; bromine; c-5; case; comfa; compounds; comsia; depression; derivatives; different; docking; dopamine; favorable; figure; fluorinated; fluorine; fluoro; groups; halogen; hand; hydrophobic; indole; indole ring; interactions; ligands; mao; meta; mixture; mmol; mode; models; moiety; molecular; molecules; multitarget; n-1; pattern; pharmacological; piperazine; polyhedron; position; potent; potent compounds; presence; receptor; residues; ring; series; series ii; serotonin; sert; similar; site; structure; studies; substitution; synthesis; table; unsubstituted; values cache: cord-034363-6uscua0y.txt plain text: cord-034363-6uscua0y.txt item: #18 of 70 id: cord-253616-7jyui5ca author: Lai, Zheng-Zong title: Harringtonine Inhibits Zika Virus Infection through Multiple Mechanisms date: 2020-09-07 words: 4986 flesch: 43 summary: Substantial research on screening antiviral agents against ZIKV and preventing ZIKV infection are globally underway, but Food and Drug Administration (FDA)-approved treatments are not available yet. Results of IFA assay also showed that harringtonine treatment inhibited ZIKV infection in a dose-dependent manner ( Figure 1E ,F). keywords: ability; activities; activity; addition; anti; antiviral; assay; binding; cells; cephalotaxine; concentrations; data; different; effect; entry; envelope; ffa; ffu; figure; fresh; gfp; group; harringtonine; homoharringtonine; incubation; infected; infection; inhibition; inhibitory; intracellular; jev; levels; medium; moi; progeny; protein; qpcr; release; replication; results; rna; rp9; stability; stage; study; supernatants; synthesis; titers; translation; treatment; vero; viral; virus; yield; zika; zikv; zikv infection cache: cord-253616-7jyui5ca.txt plain text: cord-253616-7jyui5ca.txt item: #19 of 70 id: cord-254194-962vynwk author: Galdiero, Stefania title: Silver Nanoparticles as Potential Antiviral Agents date: 2011-10-24 words: 10043 flesch: 33 summary: Many studies have shown the antimicrobial effects of metal nanoparticles, but the effects of silver nanoparticles against fungal pathogens are mostly unknown; silver nanoparticles, indeed, showed significant antifungal activity against Penicillium citrinum The present review aims at a description of the reported antiviral activities of metal nanoparticles and their production methods, with particular regard to silver nanoparticles. keywords: able; activity; agents; antibacterial; antimicrobial; antiviral; applications; area; assay; attachment; aureus; available; binding; biological; blocking; broad; bsa; capping; cell; cellular; chemical; clinical; coated; coli; complex; compounds; concentration; core; cycle; development; different; direct; diseases; dna; drug; effect; effective; entry; envelope; environment; fact; formation; free; fusion; generation; genome; glycoproteins; gold; gold nanoparticles; gp120; gram; hbv; health; hepatitis; herpes; herpesviruses; high; hiv-1; host; human; inactivation; infected; infection; infectivity; influenza; inhibition; inhibitory; interaction; interesting; ions; life; materials; mechanism; membrane; mes; metal; metal nanoparticles; methods; molecules; mpv; nanoparticles; need; negative; new; non; pathogenic; physical; plasma; possible; potential; present; properties; protein; proved; pvp; receptor; reduction; replication; reported; research; resistance; respiratory; results; review; rna; rsv; significant; silver; silver nanoparticles; simplex; size; small; solution; species; steps; strains; studies; study; surface; synthesis; tacaribe; target; tcrv; therapeutic; therapy; toxicity; transcription; transmission; treatment; type; viral; virus; viruses; water cache: cord-254194-962vynwk.txt plain text: cord-254194-962vynwk.txt item: #20 of 70 id: cord-256838-8rzibpbl author: Eng, Yi Shin title: Unraveling the Molecular Mechanism of Traditional Chinese Medicine: Formulas Against Acute Airway Viral Infections as Examples date: 2019-09-27 words: 9254 flesch: 34 summary: From the viewpoint of pathophysiology, TCM formulas used to manage airway viral infections need to have antiviral activity against such viruses listed above, and/or to induce antiviral cytokines, and/or anti-inflammatory effect, and/or to relieve symptoms commonly presented in airway infections ( Figure 1 ). The ABC Clinical Guide to Herbs Trends in alternative medicine use in the United States, 1990-1997: Results of a follow-up national survey Trends in the use of complementary health approaches among adults: United States Complementary and alternative medicine use among adults and children: United States Current state of phytotherapy in Germany Glycyrrhizic acid inhibits virus growth and inactivates virus particles Antiviral effect of cimicifugin from Cimicifuga foetida against human respiratory syncytial virus Pterodontic Acid Isolated from Laggera pterodonta Inhibits Viral Replication and Inflammation Induced by Influenza A Virus A possible mechanism of interstitial pneumonia during interferon therapy with sho-saiko-to A case of acute eosinophilic pneumonia due to Sho-saiko-to Autoimmune hepatitis with drug-induced pneumonia due to Sho-saiko-to Two cases of pneumonia caused by Sho-saiko-to Acute lymphoblastic leukemia complicated by type C hepatitis during treatment and further by acute interstitial pneumonia due to sho-saiko-to in 7-year-old An autopsy case of interstitial pneumonia probably induced by Sho-saiko-to A case of interstitial pneumonia with chronic hepatitis C following interferon-alfa and sho-saiko-to therapy A comparative study on anticoagulant activities of three Chinese herbal medicines from the genus Panax and anticoagulant activities of ginsenosides Rg1 and Rg2 Brief communication: American ginseng reduces warfarin's effect in healthy patients: A randomized Thrombosis of a prosthetic aortic valve disclosing a hazardous interaction between warfarin and a commercial ginseng product Ginseng and vaginal bleeding Ginseng face cream and unexplained vaginal bleeding Interaction between warfarin and Panax ginseng in ischemic stroke patients Systems biology: Metabonomics Potential role of metabolomics apporoaches in the area of traditional Chinese medicine: As pillars of the bridge between Chinese and Western medicine Application of metabolomics on diagnosis and treatment of patients with psoriasis in traditional Chinese medicine Biomarkers of primary dysmenorrhea and herbal formula intervention: An exploratory metabonomics study of blood plasma and urine Plasma metabolic profiling of normal and dysmenorrhea syndrome rats and the effects of Xiang-Fu-Si-Wu Decoction intervention Adulterants in Asian patent medicines Heavy metal content of ayurvedic herbal medicine products Arsenic and mercury intoxication due to Indian ethnic remedies Lead, mercury, and arsenic in US-and Indian-manufactured Ayurvedic medicines sold via the Internet Risk factors for adverse drug events among nursing home residents Role of Intestinal Microbiota in Baicalin-Induced Drug Interaction and Its Pharmacokinetics Inhibitory Effects of Baicalin on the Expression and Activity of CYP3A Induce the Pharmacokinetic Changes of Midazolam in Rats Herb-drug interactions between Scutellariae Radix and mefenamic acid: Simultaneous investigation of pharmacokinetics, anti-inflammatory effect and gastric damage in rats The effect of herbal medicine baicalin on pharmacokinetics of rosuvastatin, substrate of organic anion-transporting polypeptide 1B1 Baicalin in radical scavenging and its synergistic effect with beta-carotene in antilipoxidation Studies on the competitive binding of cleviprex and flavonoids to plasma protein by multi-spectroscopic methods: A prediction of food-drug interaction Spectroscopic investigation on the food components-drug interaction: The influence of flavonoids on the affinity of nifedipine to human serum albumin The increased binding affinity of curcumin with human serum albumin in the presence of rutin and baicalin: A potential for drug delivery system Interaction of baicalin with berberine for glucose uptake in 3T3-L1 adipocytes and HepG2 hepatocytes Could the gut microbiota reconcile the oral bioavailability conundrum of traditional herbs? keywords: activation; active; active molecules; activities; activity; acute; airway; anti; antiviral; asthma; asthmatic; baicalin; bioactive; cassia; cells; chinensis; chinese; chronic; cinnamaldehyde; cinnamomum; clinical; clinical effects; common; complex; compounds; cough; cytokines; decoction; decrease; different; disease; drug; effective; effects; ephedra; expression; factor; fev1; fever; figure; food; formulas; gan; ggt; ginseng; glycyrrhiza; health; herbal; herbal medicine; herbs; huang; human; ifn; il-1β; indication; infection; inflammation; inflammatory; influenza; ingredients; inhibit; injury; inos; interactions; levels; lung; macrophages; major; mechanisms; medicine; mice; microbiome; model; molecular; molecules; mxgst; oral; patients; pge2; pharmacokinetics; pharmacologic; physicians; plants; pneumonia; possible; production; protein; pulmonary; rats; respiratory; response; ros; serum; sho; sinica; specific; studies; study; symptoms; table; tang; tcm; tcm formulas; th1; th2; therapy; tnf; traditional; treatment; understanding; uralensis; use; virus; viruses; ygmht cache: cord-256838-8rzibpbl.txt plain text: cord-256838-8rzibpbl.txt item: #21 of 70 id: cord-257581-trt6s1wp author: Kuang, Haixue title: Three New Cycloartenol Triterpenoid Saponins from the Roots of Cimicifuga simplex Wormsk date: 2011-05-25 words: 2385 flesch: 50 summary: key: cord-257581-trt6s1wp authors: Kuang, Haixue; Su, Yang; Yang, Bingyou; Xia, Yonggang; Wang, Qiuhong; Wang, Zhibin; Yu, Zhengfan title: Three New Cycloartenol Triterpenoid Saponins from the Roots of Cimicifuga simplex Wormsk date: 2011-05-25 journal: Molecules DOI: 10.3390/molecules16064348 sha: doc_id: 257581 cord_uid: trt6s1wp Three new cycloartenol triterpene saponins, named shengmaxinsides A-C, have been isolated from the ethyl acetate soluble fraction of an ethanol extract of Cimicifuga simplex Wormsk roots. A new xyloside from the aerial parts of Cimicifuga simplex Wormsk Studies on the constituents of Cimicifuga species. keywords: 9,19; acetyl; acid; aerial; analysis; anti; c-25; chemical; cimicifuga; column; compound; constituents; cycloartane; glycosides; new; nmr; parts; proton; saponins; signals; simplex; soluble; species; spectrum; studies; sugar; triterpene; triterpenoid; type; unit; wormsk cache: cord-257581-trt6s1wp.txt plain text: cord-257581-trt6s1wp.txt item: #22 of 70 id: cord-259985-uysf83sh author: Jia, Meng-Qi title: Using UPLC-MS/MS for Characterization of Active Components in Extracts of Yupingfeng and Application to a Comparative Pharmacokinetic Study in Rat Plasma after Oral Administration date: 2017-05-17 words: 5946 flesch: 34 summary: We believed that plasma drug concentration of certain points can be regarded as the combination of all quantitative components in vivo, but, considering the huge differences of drug distribution and rate of elimination, the combination will be more complicated than simple multiplication, since the parameter of area under the plasma concentration-time curve from zero to infinity (AUC 0−∞ ) is very important for drug efficacy and pharmacology, it can reflects the drug exposure directly. Matrix effect and recovery: The matrix effect of the biological matrix (rat plasma) and extraction recoveries were evaluated at three QC levels for analytes with six replicates, matrix effect was assessed via comparison of the peak responses of the analytes in the extracted blank rat plasma matrix to those obtained from neat standard solutions at equivalent concentrations. keywords: accuracy; acetonitrile; administration; analysis; analytes; astragali; astragaloside; atractylenolide; beta; blank; calycosin; chemical; chinese; chromatography; cimicifugoside; column; compounds; concentration; constituents; curve; dimension; drug; effect; extract; extraction; figure; formononetin; formula; fractions; glucosyl-5; high; integrated; liquid; low; mass; matrix; medicine; methanol; method; min; mobile; nplc; oral; peak; pharmacokinetic; phase; plasma; precision; qtof; radix; rat; rhizoma; samples; saposhnikoviae; spectrometry; standard; study; system; time; total; traditional; uplc; water; ypf cache: cord-259985-uysf83sh.txt plain text: cord-259985-uysf83sh.txt item: #23 of 70 id: cord-262094-b4yuh5y9 author: Shi, Yanhong title: Separation and Quantification of Four Main Chiral Glucosinolates in Radix Isatidis and Its Granules Using High-Performance Liquid Chromatography/Diode Array Detector Coupled with Circular Dichroism Detection date: 2018-05-29 words: 3623 flesch: 44 summary: In the typical UV and CD chromatograms of R. Isatidis samples (Figure 1 ), R-goitrin and S-goitrin showed the same retention time, UV absorption feature, and overlapping peak. In the typical UV and CD chromatograms of R. Isatidis samples (Figure 1 ), R-goitrin and S-goitrin showed the same retention time, UV absorption feature, and overlapping peak. keywords: analysis; chemical; chiral; chromatograms; content; crude; crude drugs; decoction; decoction pieces; detection; detector; different; drugs; epiprogoitrin; figure; glucosinolates; goitrin; goitrin content; grade; granules; hplc; isatidis; main; methanol; method; mixed; pieces; purities; radix; samples; table; traditional; water cache: cord-262094-b4yuh5y9.txt plain text: cord-262094-b4yuh5y9.txt item: #24 of 70 id: cord-264326-teahway7 author: Eleftheriou, Phaedra title: In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus date: 2020-05-29 words: 5423 flesch: 40 summary: Estimated binding energies of approved or under-trial III protease inhibitors to the structure of the SARS-CoV-2 main protease structures (PDB code: 6LU7 and PDB code: 6M2N), to their initial protease target (HCV protease structure 2WF8, DPP-4 structure 2FFW, a-thrombin structure 1DWE, Factor Xa structure 4BTI) and to the HIV-1 protease structure 4RVJ. Docking analysis of 34 approved or phase III trial protease inhibitors to the SARS-CoV-2 protease revealed several drugs that may act as SARS-CoV-2 protease inhibitors, within the classes of the HCV protease, DPP-4, α-thrombin and coagulation Factor Xa inhibitors. keywords: acids; active; amino; amino acids; analysis; anti; binding; bond; chain; coagulation; complex; compounds; coronavirus; cov-2; covid-19; cys145; distances; docking; drugs; energy; enzyme; evaluation; factor; figure; formation; free; glu166; group; hcv; hcv protease; his41; hydrogen; hydrophobic; inhibitors; initial; interactions; kcal; leu; ligand; lower; main; main protease; moiety; mol; patients; polar; promising; protease; protease inhibitors; protein; results; ring; sars; ser; site; stabilization; structure; subsite; substrate; thrombin cache: cord-264326-teahway7.txt plain text: cord-264326-teahway7.txt item: #25 of 70 id: cord-266149-h8bu3jrq author: Kim, Sarah title: Hyperpolarization of Nitrile Compounds Using Signal Amplification by Reversible Exchange date: 2020-07-23 words: 3939 flesch: 37 summary: key: cord-266149-h8bu3jrq authors: Kim, Sarah; Min, Sein; Chae, Heelim; Jeong, Hye Jin; Namgoong, Sung Keon; Oh, Sangwon; Jeong, Keunhong title: Hyperpolarization of Nitrile Compounds Using Signal Amplification by Reversible Exchange date: 2020-07-23 journal: Molecules DOI: 10.3390/molecules25153347 sha: doc_id: 266149 cord_uid: h8bu3jrq Signal Amplification by Reversible Exchange (SABRE), a hyperpolarization technique, has been harnessed as a powerful tool to achieve useful hyperpolarized materials by polarization transfer from parahydrogen. However, polarization transfer in isobutyronitrile is much less compared to that in butyronitrile case. keywords: acetonitrile; butyronitrile; case; catalyst; compounds; concentration; different; efficiency; enhancement; exchange; factor; field; figure; fold; group; h-1; h-2; higher; hyperpolarization; hyperpolarized; induced; magnetic; methyl; nitrile; nmr; parahydrogen; polarization; protons; reversible; sabre; signal; spin; structures; studies; study; substrate; transfer; trend cache: cord-266149-h8bu3jrq.txt plain text: cord-266149-h8bu3jrq.txt item: #26 of 70 id: cord-268088-y4vg7frb author: Montané, Xavier title: Current Perspectives of the Applications of Polyphenols and Flavonoids in Cancer Therapy date: 2020-07-23 words: 11135 flesch: 39 summary: Several research groups have proved the cytotoxicity of kaempferol against breast cancer cells both in vitro and in vivo: -By inhibiting the growth of cancer cells, Flavonols are a class of flavonoids based on the backbone 3-hydroxyflavone. Several research groups have proved the cytotoxicity of kaempferol against breast cancer cells both in vitro and in vivo: -By inhibiting the growth of cancer cells, -By stopping the progression and proliferation of cancer cells, and -By inducing cancer cells apoptosis. keywords: acid; activity; addition; administration; agents; anthocyanidins; anticancer; anticancer effects; antioxidant; apigenin; apoptosis; applications; arctigenin; authors; beans; breast; breast cancer; cancer; cancer cells; cancer therapy; cancer treatment; carbon; carcinogenic; caspase-3; chalcones; chemical; cinnamic; clinical; colon; colorectal; combination; compounds; coumaric; curcumin; cytotoxicity; daidzein; death; delivery; delphinidin; derivatives; development; diet; dietary; different; doxorubicin; drug; effects; egcg; ellagic; fact; family; figure; flavones; flavonoids; food; fruits; gastric; gastric cancer; genistein; grapes; groups; growth; health; hesperetin; honokiol; human; induced; inflammatory; inhibits; investigations; kaempferol; known; leukemia; lines; lung; lung cancer; luteolin; magnolol; mechanisms; medicine; migration; multiple; naringenin; natural; numerous; pancreatic; pathway; phenolic; plants; polyphenols; poor; potential; products; progression; proliferation; properties; prostate; prostate cancer; protein; quercetin; recent; red; research; resistance; resveratrol; review; role; signaling; stilbene; structure; studies; study; tea; therapies; therapy; treatment; tumor; types; use; vegetables; vivo; wide; workers; yellow cache: cord-268088-y4vg7frb.txt plain text: cord-268088-y4vg7frb.txt item: #27 of 70 id: cord-268902-npug5c8p author: Liu, Yang title: The Roles of Direct Recognition by Animal Lectins in Antiviral Immunity and Viral Pathogenesis date: 2015-01-29 words: 6966 flesch: 32 summary: Such lectin-based antiviral strategies are divided into two parts: (1) lectin-based immune activation and (2) blockade of lectin receptors against viral entry [129] . Differential glycosylation patterns of viral surface proteins strongly influence the efficiency of viral recognition by DC-SIGN/L-SIGN [59, 60] . keywords: activity; animal; antiviral; associated; attachment; binding; binds; calnexin; calreticulin; carbohydrate; cells; clec5a; complement; complex; components; coronavirus; crd; crds; dendritic; dengue; denv; different; direct; domain; entry; envelope; factors; family; figure; folding; form; function; galactose; galectin-1; galectins; glycoproteins; glycosylation; gp120; hepatitis; high; hiv; hiv-1; host; human; immune; infection; influenza; interaction; intracellular; langerhans; langerin; lectins; like; macrophages; mammalian; mannose; maturation; mbl; mechanism; membrane; mosquito; mprs; multiple; oligosaccharides; particles; pathogenesis; pathway; phosphate; plasma; protein; receptors; recognition; replication; respiratory; role; shrimp; sign; sites; soluble; specific; specificity; structures; studies; study; surface; surfactant; susceptibility; syndrome; system; type; type lectins; viral; virus; viruses cache: cord-268902-npug5c8p.txt plain text: cord-268902-npug5c8p.txt item: #28 of 70 id: cord-272113-j82z4q8x author: Akaji, Kenichi title: Design and Evaluation of Anti-SARS-Coronavirus Agents Based on Molecular Interactions with the Viral Protease date: 2020-08-27 words: 6474 flesch: 38 summary: Design, synthesis, biological evaluation, and docking studies Design, synthesis, and biological evaluation of novel dipeptide-type SARS-CoV 3CL protease inhibitors: Structure-activity relationship study Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors Chalcones isolated from Angelica keiskei inhibit cysteine proteases of SARS-CoV Evaluation of polyphenols from Broussonetia papyrifera as coronavirus protease inhibitors Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL pro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding Design and synthesis of a series of serine derivatives as small molecule inhibitors of the SARS coronavirus 3CL protease Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Evaluation of a non-prime site substituent and warheads combined with a decahydroisoquinolin scaffold as a SARS 3CL protease inhibitor Inhibition of SARS-CoV 3CL protease by flavonoids COVID-19: Recent studies on the catalytic mechanism of the SARS-CoV 3CL pro and MERS-CoV 3CL pro revealed detailed insights regarding the difference in catalytic efficiencies between 3CL pro from SARS-CoV and MERS-CoV, and identified a potential allosteric site for inhibitor design. keywords: 3cl; 3cl pro; 3cl protease; active; activity; acute; addition; agents; aldehyde; attack; bond; carbonyl; catalytic; cell; complexed; compound; coronavirus; cov; cov 3cl; cov-2; covalent; covid-19; crystal; cys145; decahydroisoquinoline; design; development; enzyme; evaluation; expected; figure; group; high; host; human; hydrophobic; inhibitor; initial; interactions; ketone; like; new; novel; nucleophilic; pdb; peptide; pocket; potent; pro; protease; protease inhibitors; rational; reaction; respiratory; ring; sars; sars 3cl; sars coronavirus; scaffold; series; severe; site; small; specific; structure; studies; substituent; substrate; syndrome; synthesis; terminal; therapeutic; thiol; type; viral; warhead cache: cord-272113-j82z4q8x.txt plain text: cord-272113-j82z4q8x.txt item: #29 of 70 id: cord-272465-i2l4cq8h author: Law, Betty Yuen Kwan title: New Potential Pharmacological Functions of Chinese Herbal Medicines via Regulation of Autophagy date: 2016-03-17 words: 16375 flesch: 24 summary: Therefore, cancer intervention with the use of autophagy inducers can trigger both autophagic cell death and physiological changes, such as cell cycle arrest, on cancer cells. For example, cepharanthine abolished the drug resistance property of cancer cells by modulating the activities of multidrug resistance factor ABCC10 (MRP7) and ATPase keywords: ability; accumulation; acid; action; activation; active; activities; activity; addition; adenocarcinoma; agent; aggregation; akt; alkaloid; alzheimer; ampk; amyloid; anemarrhenae; anti; antioxidant; apoptosis; apoptotic; applications; arrest; associated; autophagic cell; autophagy; beclin; beneficial; berberine; bioactive; blood; body; brain; breast; bufalin; cancer; cancer cells; cancer therapy; carcinoma; cardiovascular; celastrol; cell death; cells; cellular; cepharanthine; chinese; chm; chms; chronic; clinical; cold; colon; complex; components; compound; conditions; constituents; coptidis; correlated; cortex; cucurbitacin; curcumin; cytotoxic; death; degradation; dependent; development; different; disease; disorders; drug; effective; effects; efficacy; evodiamine; example; expression; extract; factor; fangchinoline; fever; findings; fructus; functions; gambogic; ganoderma; gastric; ginseng; glioblastoma; glucose; growth; heat; hepatic; hepatocellular; herb; herbal; homeostasis; huang; human; huntingtin; iia; immune; immunity; important; induced; induction; infections; inflammation; inflammatory; inflammatory effects; inhibited; inhibition; inhibits; injury; insomnia; insulin; intracellular; isolated; jnk; jujuboside; kidney; kinase; leukemia; like; lipid; liver; lucidum; lung; macroautophagy; magnolol; main; major; mammalian; matrine; mechanism; medicinal; medicine; metabolic; mice; miltiorrhizae; model; modulation; modulators; molecular; mouse; mtor; mtorc1; multidrug; multiple; mutant; natural; neferine; nelumbo; neurodegenerative; neuroprotective; new; novel; nucifera; nuclear; oxidative; p38; pancreatic; parkinson; pathway; pharmaceutical; pharmacological; pheophorbide; phosphorylation; pi3k; piperlongumine; plumbagin; polygalae; polygoni; potential; process; production; progression; proliferation; properties; prostate; protective; protein; radix; rapamycin; rats; recent; receptor; regulation; regulatory; related; resistant; responses; responsible; resveratrol; rhizoma; role; rottlerin; salviae; scutellariae; sedative; semen; signaling; skin; spinosae; stress; studies; suppression; symptoms; syndrome; synthesis; synuclein; system; tanshinone; target; teng; tetrandrine; therapeutic; therapy; timosaponin; traditional; treatment; trials; tumor; tumorigenesis; type; use; virus; vivo; yang; zhi; ziziphi cache: cord-272465-i2l4cq8h.txt plain text: cord-272465-i2l4cq8h.txt item: #30 of 70 id: cord-276598-tm0yj2sn author: Itumoh, Emeka J. title: Opening up the Toolbox: Synthesis and Mechanisms of Phosphoramidates date: 2020-08-13 words: 21257 flesch: 48 summary: For example, a P-N-tantalum complex has been developed as a pre-catalyst for hydroaminoalkylation reactions [50] . In addition, the synthesis of medium and large N-based heterocycles has been achieved with the aid of P-Ns, as the phosphoryl group improves intramolecular cyclization, and it can also be easily removed afterwards [51] . keywords: -porphyrin; acid; addition; air; aliphatic; alkyl; amines; amino; aniline; anionic; aromatic; aryl; atherton; atom; attack; authors; azide; base; benzylamine; bond; catalyst; catalyzed; cationic; ccl4; chemistry; chromatography; column; complex; compounds; conditions; copper; coupling; coworkers; cross; crude; dacp; derivatives; dialkyl; diethyl; diphenyl; diverse; dye; effective; elimination; et al; figure; flame; form; formation; free; generation; group; halides; hydrogen; hydrolysis; hydrophosphinylation; important; insertion; intermediate; iodine; isolated; limitations; low; mechanism; mechanistic; metal; method; molecules; n product; nitrene; nitrobenzene; nitrogen; nucleophilic; organic; oxidative; p(o)h; phosphite; phosphonate; phosphoramidates; phosphoryl; phosphorylation; plausible; pot; presence; primary; process; product; r =; radical; range; reaction; reaction mechanism; reduced; reduction; reported; results; review; ro)2p(o)h; ro)3p; route; salt; scheme; scope; second; silica; similar; situ; sodium; solvents; sources; step; stoichiometric; substituents; substitution; substrates; suggested; synthesis; synthetic; temperature; time; todd; triethyl; use; uses; waste; water; yield; zwierzak cache: cord-276598-tm0yj2sn.txt plain text: cord-276598-tm0yj2sn.txt item: #31 of 70 id: cord-276781-ujvkcz4s author: Papadakis, Georgios title: Synthesis of New Imidazopyridine Nucleoside Derivatives Designed as Maribavir Analogues date: 2020-10-03 words: 5623 flesch: 42 summary: Anomeric purity and configuration of compounds 12a-c were determined on the basis of 1 H-NMR and NOE spectra, respectively. Anomeric purity and configuration of compounds 12a-c were determined on the basis of 1 H-NMR and NOE spectra, respectively. keywords: 10a; 11a; 12a; 12c; 13a; activity; addition; anomeric; anomers; antiviral; aromatic; benzimidazole; bruker; cell; chromatography; clinical; column; compounds; configuration; correlation; corresponding; cytomegalovirus; derivatives; dna; figure; glycosylation; hcmv; human; imidazopyridine; inhibition; maribavir; meoh; mixture; new; nmr; noe; nucleoside; patients; peaks; phase; procedure; proton; pure; purification; reaction; recipients; ribosides; spectra; sugar; synthesis; target; transplant; trials; yield cache: cord-276781-ujvkcz4s.txt plain text: cord-276781-ujvkcz4s.txt item: #32 of 70 id: cord-277491-q18b88lm author: Cao, Ying-Li title: Identification and Characterization of Three Novel Small Interference RNAs That Effectively Down-Regulate the Isolated Nucleocapsid Gene Expression of SARS Coronavirus date: 2011-02-11 words: 4010 flesch: 46 summary: Similarly, si-N863, which targeted at the 3' half of N gene, also dramatically inhibited N protein expression by about four-fold when the molar ratio of si-N863: N reached 6:1 (Figure 5a and 5b) . Therefore, N gene has long been thought an ideal target for the design of small interference RNA (siRNA). keywords: acute; analysis; cells; control; coronavirus; cov; domain; doses; effect; egfp; expression; figure; gene; gene expression; hek293; host; inf; isolated; myc; n gene; n#16; n1240; n213; n863; novel; nucleocapsid; nucleotide; pbs; pcr; previous; production; products; protein; respiratory; sars; sequence; severe; sirna; sites; small; specific; study; substitutions; syndrome; targeted; targeting; terminal; viral cache: cord-277491-q18b88lm.txt plain text: cord-277491-q18b88lm.txt item: #33 of 70 id: cord-279281-gh298gaa author: Zannou, Oscar title: Recovery and Stabilization of Anthocyanins and Phenolic Antioxidants of Roselle (Hibiscus sabdariffa L.) with Hydrophilic Deep Eutectic Solvents date: 2020-08-14 words: 8475 flesch: 46 summary: Chemie Int Natural deep eutectic solvents as new potential media for green technology Application of natural deep eutectic solvents to the extraction of anthocyanins from Catharanthus roseus with high extractability and stability replacing conventional organic solvents Natural deep eutectic solvents from choline chloride and betainePhysicochemical properties Radojcic Redovnikovic, I. Green extraction of grape skin phenolics by using deep eutectic solvents Saffron processing wastes as a bioresource of high-value added compounds: Development of a green extraction process for polyphenol recovery using a natural deep eutectic solvent Natural deep eutectic solvents providing enhanced stability of natural colorants from safflower (Carthamus tinctorius) Enhanced extraction of natural pigments from Curcuma longa L. using natural deep eutectic solvents Polyol-Based deep eutectic solvents for extraction of natural polyphenolic antioxidants from Chlorella vulgaris Enhanced phenolic compounds extraction from Morus alba As shown in Table 4 , all the linear, interaction and quadratic units showed significant effects on DPPH radical scavenging values of Roselle calyces Likewise, the linear units having the most impactful effects on FRAP were found to be additional water at F value 82.80 (p < 0.0001), followed by liquid to solid ratio at F value 16.29 (p < 0.0050), while the most impactful quadratic units were additional water F value 100.05 (p < 0.0001), followed by molarity ratio F value 47.96 (p < 0.0002) and liquid to solid ratio F value 20.86 (p < 0.0026). keywords: acetate; acid; activity; additional; additional water; adjusted; anthocyanin; antioxidant; bonding; calyces; chloride; compounds; constant; d3s; deep; degradation; dess; distilled; dpph; effects; eutectic; experimental; extraction; extracts; figure; formic; formic acid; frap; green; hibiscus; high; higher; liquid; methodology; mmol; model; molarity; molarity ratio; natural; optimum; order; phenolic; properties; radical; ratio; response; results; roselle; sabdariffa; safa; safa m; scavenging; significant; sodium; sodium acetate; solid; solvents; storage; stretching; study; surface; table; tacn; temperature; terms; tfc; thermal; time; total; tpc; values; variables; viscosity; water cache: cord-279281-gh298gaa.txt plain text: cord-279281-gh298gaa.txt item: #34 of 70 id: cord-280292-90i45kjk author: Daescu, Monica title: Photoluminescence as a Valuable Tool in the Optical Characterization of Acetaminophen and the Monitoring of Its Photodegradation Reactions date: 2020-10-07 words: 5169 flesch: 47 summary: For higher NaOH concentrations such as those in the 0.01-0.3 M range, an inverse behavior is reported by exposure to UV light of AC solutions which interact with NaOH. For higher NaOH concentrations such as those in the 0.01-0.3 M range, an inverse behavior is reported by exposure to UV light of AC solutions which interact with NaOH. keywords: amide; aqueous; band; black; case; cm −1; compounds; counts; curve; decrease; equal; excipients; exposure; figure; group; increase; intensity; interaction; light; min; naoh; paracetamol; pharmaceutical; ple; raman; ratio; samples; sec; shift; sodium; solution; spectra; spectroscopy; spectrum; stretching; uv light; weight cache: cord-280292-90i45kjk.txt plain text: cord-280292-90i45kjk.txt item: #35 of 70 id: cord-280807-0g1uo0rd author: Tomani, Jean Claude Didelot title: The Inhibition of NLRP3 Inflammasome and IL-6 Production by Hibiscus noldeae Baker f. Derived Constituents Provides a Link to Its Anti-Inflammatory Therapeutic Potentials date: 2020-10-14 words: 8146 flesch: 43 summary: Overall, our work does provide the very first scientific based evidence for Hibiscus noldeae anti-inflammatory effects and widespread use by traditional healers in Rwanda for a variety of ailments. Several studies have reported the role of different inflammatory cells and mediators in the pathogenesis of asthma where the volume and nature of involved inflammatory mediators determine the severity and exacerbations of the disease. keywords: acid; activation; activities; activity; analysis; anti; assay; associated; asthma; atp; caffeic; caspase-1; cell; co.; components; compounds; concentration; constituents; controls; covid-19; crude; culture; determined; dexamethasone; different; diseases; effect; elisa; er2.4; expression; extract; figure; fractions; glo; h. noldeae; hibiscus; hplc; il-1β; il-1β production; il-6; inflammasome; inflammasome activation; inflammation; inflammatory; inhibition; inhibitory; instructions; interest; kit; lps; macrophages; madison; major; manufacturer; method; nlrp3; nlrp3 inflammasome; noldeae; plant; production; promega; properties; purified; raw264.7; respiratory; results; samples; supernatant; test; tested; thermofisher; thp-1; traditional; treatment; usa; waltham; yvad cache: cord-280807-0g1uo0rd.txt plain text: cord-280807-0g1uo0rd.txt item: #36 of 70 id: cord-281281-knelqmzx author: Villas-Boas, Gustavo R. title: The New Coronavirus (SARS-CoV-2): A Comprehensive Review on Immunity and the Application of Bioinformatics and Molecular Modeling to the Discovery of Potential Anti-SARS-CoV-2 Agents date: 2020-09-07 words: 15802 flesch: 36 summary: Spike features determining 'host jump' of coronaviruses SARS-CoV, MERS-CoV, and beyond The spike protein of SARS-CoV-A target for vaccine and therapeutic development Cell responses to whole SARS coronavirus in Humans T-cell immunity of SARS-CoV: Implications for vaccine development against MERS-CoV Canine coronavirus highly pathogenic for dogs Experimental infection of dogs with a novel strain of canine coronavirus causing systemic disease and lymphopenia Prolonged depletion of circulating CD4+ T lymphocytes and acute monocytosis after pantropic canine coronavirus infection in dogs Canine Coronavirus: Not Only an Enteric Pathogen Molecular characterization of HLJ-073, a recombinant canine coronavirus strain from China with an ORF3abc deletion Genotypic Characterization of Canine Coronaviruses Associated with Fatal Canine Neonatal Enteritis in the United States Natural history of a recurrent feline coronavirus infection and the role of cellular immunity in survival and disease Acquisition of macrophage tropism during the pathogenesis of feline infectious peritonitis is determined by mutations in the feline coronavirus spike protein An update on canine coronaviruses: Viral evolution and pathobiology Epstein-Barr virus-Specific CD8+ T cells that re-express CD45RA are apoptosis-resistant memory cells that retain replicative potential Decreased CCR5 expression on CD4+ T Cells of SIV-Infected sooty mangabeys Expression of lymphocytes and lymphocyte subsets in patients with severe acute respiratory syndrome Renin-angiotensin system: The unexpected flaw inside the human immune system revealed by SARS-CoV-2 Immunity after natural exposure to enteric canine coronavirus does not provide complete protection against infection with the new pantropic CB/05 strain The Thymus Is a Common Target Organ Articles Genomic characterisation and epidemiology of 2019 novel coronavirus: Implications for virus origins and receptor binding First Cases of Coronavirus Disease (COVID-19) in Brazil, South America (2 Genomes The origins of bioinformatics Multiple sequence alignment modeling: Despite little understanding about the pathophysiology and high pathogenicity of SARS-CoV-2 infection, early studies have shown that increased amounts of proinflammatory cytokines in serum (e.g., (interleukin IL) IL-1β, IL-6, IL-12, interferon-γ (IFNγ), Interferon-inducible protein 10 (IP10), and monocytic chemotactic protein 1 (MCP1)) were associated with pulmonary inflammation and extensive lung damage in patients with Severe Acute Respiratory Syndrome (SARS) keywords: ace2; action; activation; acute; addition; agents; analysis; animals; anti; antiviral; available; bats; bcov; binding; bioinformatics; canine; ccov; cell; china; chinese; clinical; common; complement; compounds; computational; corel; coreldraw; coronavirus; corporation; cov-2; covid-19; covs; crucial; cytokine; data; databases; design; developed; development; different; discovery; disease; domain; drugs; effective; envelope; enzyme; essential; evidence; example; fcov; feline; figure; fusion; genetic; genomes; genomic; glycoprotein; group; hcov; health; high; homology; host; human; hydroxychloroquine; ifn; image; immune; immunity; important; infected; infection; inflammatory; information; inhibitors; injury; innate; interaction; knowledge; known; like; lung; main; material; mechanisms; membrane; mers; modeling; models; molecular; molecules; natural; ncov; new; novel; oc43; origin; outbreak; pathogenesis; patients; person; phylogenetic; pneumonia; possible; potential; present; previous; process; protease; proteins; recent; receptor; regions; replication; research; researchers; respiratory; response; responsible; results; review; rna; role; sars; sars coronavirus; screening; sequence; severe; similar; software; species; specific; spike; spread; strategy; structural; studies; study; syndrome; system; target; therapeutic; time; tools; transmission; treatment; type; understanding; vaccines; viral; virtual; viruses; wild; work cache: cord-281281-knelqmzx.txt plain text: cord-281281-knelqmzx.txt item: #37 of 70 id: cord-281668-960trqex author: Dana, Dibyendu title: A Review of Small Molecule Inhibitors and Functional Probes of Human Cathepsin L date: 2020-02-06 words: 22099 flesch: 36 summary: 293T cells Rational design of aziridine-containing cysteine protease inhibitors with improved potency: Studies on inhibition mechanism Vinyl sulfones as mechanism-based cysteine protease inhibitors Peptidyl vinyl sulphones: A new class of potent and selective cysteine protease inhibitors: S2P2 specificity of human cathepsin O2 in comparison with cathepsins S and L Relative rates of Michael reactions of 2 '-(phenethyl)thiol with vinyl sulfones, vinyl sulfonate esters, and vinyl sulfonamides relevant to vinyl sulfonyl cysteine protease inhibitors Vinyl sulfonate esters and vinyl sulfonamides: Potent, irreversible inhibitors of cysteine proteases The marine cyanobacterial metabolite gallinamide A is a potent and selective inhibitor of human cathepsin L Peptidyl aldehyde derivatives as potent and selective inhibitors of cathepsin L Suppressive effect of N-(benzyloxycarbonyl)-L-phenylalanyl-L-tyrosinal on bone resorption in vitro and in vivo Azepanone-based inhibitors of human and rat cathepsin K Azepanone-based inhibitors of human cathepsin S: Optimization of selectivity via the P2 substituent The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K Clinical and translational pharmacology of the cathepsin K inhibitor odanacatib studied for osteoporosis Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide···Heteroarene Ï�-Stacking Interactions and Chalcogen Bonding in the S3 Pocket Novel, nonpeptidic cyanamides as potent and reversible inhibitors of human cathepsins K and L Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB Cysteine protease inhibition by azapeptide esters Molecular docking of cathepsin L inhibitors in the binding site of papain Cathepsin L expression is up-regulated by hypoxia in human melanoma cells: Role of its 5 -untranslated region Multiple Cathepsins Promote Pro-IL-1beta Synthesis and NLRP3-Mediated IL-1beta Activation Activity-based protein profiling: From enzyme chemistry to proteomic chemistry Finding enzymes that are actively involved in cancer Activity-based probes for protein tyrosine phosphatases Global analysis of protein tyrosine phosphatase activity with ultra-sensitive fluorescent probes Optimization of a Protease Activated Probe for Optical Surgical Navigation Preclinical Evaluation of Cathepsin-Based Fluorescent Imaging System for Cytoreductive Surgery Activity-based probes that target diverse cysteine protease families Functional imaging of proteases: Die Pharm Dipeptidylpeptidase IV-inactivation with N-peptidyl-O-aroyl hydroxylamines Potent and selective inactivation of proteinases with N-peptidyl-O-acylhydroxylamines Reactions between dipeptidyl peptidase IV and diacyl hydroxylamines: Mechanistic investigations Potent and selective inactivation of cysteine proteinases with N-peptidyl-O-acyl hydroxylamines Novel N-peptidyl-O-acyl hydroxamates: Selective inhibitors of cysteine proteinases N-peptidyl-O-carbamoyl amino acid hydroxamates: Irreversible inhibitors for the study of the S2 specificity of cysteine proteinases -guanidino)butane] analogues as inhibitors of cysteine proteinases: Investigation of S2 subsite interactions Peptidyl (acyloxy)methanes as quiescent affinity labels for cysteine proteinases Identification of new peptide amides as selective cathepsin L inhibitors: The first step towards selective irreversible inhibitors? 64) as Inhibitors of Cysteine Proteases New Peptidic Cysteine Protease Inhibitors Derived from the Electrophilic α-Amino Acid Aziridine-2,3-dicarboxylic Acid Novel peptidyl aryl vinyl sulfones as highly potent and selective inhibitors of cathepsins L and B Development of a highly potent, selective, and cell-active inhibitor of cysteine cathepsin L-A hybrid design approach Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and Trypanosoma cruzi Cruzain Development of peptidyl α-keto-β-aldehydes as new inhibitors of cathepsin L-Comparisons of potency and selectivity profiles with cathepsin B Azepanone-based inhibitors of human cathepsin L Systematic investigation of halogen bonding in protein-ligand interactions Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the pi-Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors Synthesis and biological evaluation of a water-soluble phosphate prodrug salt and structural analogues of KGP94, a lead inhibitor of cathepsin L Synthesis and biochemical evaluation of benzoylbenzophenone thiosemicarbazone analogues as potent and selective inhibitors of cathepsin L Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L Design, synthesis, and biological evaluation of potent thiosemicarbazone based cathepsin L inhibitors A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors Identification and synthesis of a unique thiocarbazate cathepsin L inhibitor Design, synthesis, and evaluation of inhibitors of cathepsin L: Exploiting a unique thiocarbazate chemotype Kinetic characterization and molecular docking of a novel, potent, and selective slow-binding inhibitor of human cathepsin L A small-molecule oxocarbazate inhibitor of human cathepsin L blocks severe acute respiratory syndrome and ebola pseudotype virus infection into human embryonic kidney keywords: acceptor; acid; active; active cathepsin; active site; activity; affinity; agents; ala; amino; analog; analysis; aryl; authors; aziridine; binding; biology; biotinylated; bone; cancer; catalytic; cathepsin b; cathepsin inhibitor; cathepsin l; cell; cellular; certain; chalcogen; chemical; class; complex; compounds; covalent; crystal; cysteine; cysteine cathepsin; dependent; detection; developed; development; different; discovery; disease; docking; e-64; effect; efficacy; electrophilic; entry; enzyme; enzyme activity; et al; favorable; figure; fluorescent; follow; following; formation; forms; functional; gallinamide; gel; group; human; human cathepsin; hydrophobic; ic50; identification; imaging; importance; improved; inactivation; incubation; inhibited; inhibitor; interactions; irreversible; kd-1; kda; key; kinetics; l enzyme; l inhibitors; labeling; leu; library; ligands; like; lysosomal; mechanism; michael; modification; moiety; molecular; molecule; motif; nitrile; non; peptide; peptidyl; phe; phenyl; pocket; position; potency; potent; potent cathepsin; potential; presence; prime; probe; profile; propeptide; protease; protein; proteinases; radioactive; red; relevant; residue; ring; role; sar; scaffold; selective; selective inhibitor; selectivity; series; similar; site; small; specific; specificity; strain; streptavidin; structure; studies; study; subsite; substituents; substrate; synthesized; table; target; targeting; tested; therapeutic; thiocarbazate; thiosemicarbazone; time; trend; type; tyr; unique; value; vinylsulfonate; vivo; warhead; work cache: cord-281668-960trqex.txt plain text: cord-281668-960trqex.txt item: #38 of 70 id: cord-283127-jetmocvk author: Wang, Denong title: Targeting N-Glycan Cryptic Sugar Moieties for Broad-Spectrum Virus Neutralization: Progress in Identifying Conserved Molecular Targets in Viruses of Distinct Phylogenetic Origins date: 2015-03-12 words: 4002 flesch: 39 summary: Antibody domain exchange is an immunological solution to carbohydrate cluster recognition Rational antibody-based HIV-1 vaccine design: Current approaches and future directions The broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2G12 recognizes a cluster of alpha1-->2 mannose residues on the outer face of gp120 The mannose-dependent epitope for neutralizing antibody 2G12 on human immunodeficiency virus type 1 glycoprotein gp120 A limited number of antibody specificities mediate broad and potent serum neutralization in selected HIV-1 infected individuals Structure and function of broadly reactive antibody PG16 reveal an H3 subdomain that mediates potent neutralization of HIV-1 PGV04, an HIV-1 gp120 CD4 binding site antibody, is broad and potent in neutralization but does not induce conformational changes characteristic of cd4 Rapid development of glycan-specific, broad, and potent anti-HIV-1 gp120 neutralizing antibodies in an R5 SIV/HIV chimeric virus infected macaque A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield Broad neutralization coverage of HIV by multiple highly potent antibodies Synthetic carbohydrate antigens for HIV vaccine design Human monoclonal antibody 2G12 defines a distinctive neutralization epitope on the gp120 glycoprotein of human immunodeficiency virus type 1 Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9 Glycan arrays lead to the discovery of autoimmunogenic activity of SARS-CoV The genome sequence of the SARS-associated coronavirus Characterization of a novel coronavirus associated with severe acute respiratory syndrome The SARS-COV S glycoprotein: Expression and functional characterization Identification of N-linked carbohydrates from severe acute respiratory syndrome (SARS) spike glycoprotein Alpha-(1-3)-and alpha-(1-6)-D-mannose-specific plant lectins are markedly inhibitory to human immunodeficiency virus and cytomegalovirus infections in vitro Marked depletion of glycosylation sites in HIV-1 gp120 under selection pressure by the mannose-specific plant lectins of Hippeastrum hybrid and Galanthus nivalis Profile of resistance of human immunodeficiency virus to mannose-specific plant lectins Mannose-specific plant lectins from the amaryllidaceae family qualify as efficient microbicides for prevention of human immunodeficiency virus infection Plant lectins are potent inhibitors of coronaviruses by interfering with two targets in the viral replication cycle Expression, glycoform characterization, and antibody-binding of HIV-1 V3 glycopeptide domain fused with human IgG1-Fc Inhibition of mammalian glycan biosynthesis produces non-self antigens for a broadly neutralising, HIV-1 specific antibody Envelope glycans of immunodeficiency virions are almost entirely oligomannose antigens The lectin helix pomatia agglutinin recognizes O-GlcNAc containing glycoproteins in human breast cancer Anti-glycan antibodies or biotinylated lectins were pre-titrated in 1% BSA, PBST for ELISA. keywords: agents; agor; analysis; antibodies; antibody; antigens; asor; bal; binding; broad; carbohydrate; cells; con; cov; cryptic; distinct; elisa; epitopes; figure; glycan; glyco; glycoprotein; gna; gp120; hcmv; high; hiv-1; human; immunodeficiency; lectins; man9; mannose; microarray; moieties; molecular; neutralization; neutralizing; number; oligomannosyl; pha; potent; potential; preparations; profiles; reactive; sars; specific; specificities; spectrum; staining; study; sugar; targets; tri; type; usa; viral; virus; viruses cache: cord-283127-jetmocvk.txt plain text: cord-283127-jetmocvk.txt item: #39 of 70 id: cord-284113-qboon2uv author: Zheljazkov, Valtcho D. title: Industrial, CBD, and Wild Hemp: How Different Are Their Essential Oil Profile and Antimicrobial Activity? date: 2020-10-12 words: 7536 flesch: 54 summary: Some previous reports identified a different number of EO constituents in hemp EO (e.g., 55 EO constituents, with myrcene, α-pinene, and β-pinene as the main monoterpenes, and β-caryophyllene as the main sesquiterpene) However, due to the depressed markets and expensive feminized seed (US$1/seed), there is now significant interest in hemp EO from industrial hemp cultivars and even from wild hemp. keywords: accessions; acid; activity; antimicrobial; austria; bacalmas; bioactivity; bisabolol; breeding; breeding lines; buro; candida; cannabinoids; cannabis; caryophyllene; cbd; chemical; commercial; compound; concentration; constituents; crops; cultivars; cvs; different; distillation; eos; essential; figure; hemp; hemp cultivars; hemp eo; hemp strain; higher; highest; humulene; hungary; hydro; industrial; industrial hemp; leaves; lines; n.d; new; oil; overall; oxide; pinene; plants; production; profile; registered; samples; sativa; saykaj; significant; spontaneous; strain; strain eo; study; supplementary; table; thc; total; type; usa; usa hemp; varied; wild hemp cache: cord-284113-qboon2uv.txt plain text: cord-284113-qboon2uv.txt item: #40 of 70 id: cord-286655-5vorrnq3 author: Vivek-Ananth, R.P. title: In Silico Identification of Potential Natural Product Inhibitors of Human Proteases Key to SARS-CoV-2 Infection date: 2020-08-22 words: 12982 flesch: 49 summary: The hydrogen bonds and π-π stacking are displayed using yellow and red dotted lines, respectively, Figure S4 : Cartoon representation of the protein-ligand interactions of the phytochemical inhibitors of cathepsin L. Interactions of cathepsin L residues with atoms of (a) C7, (b) C8, and (c) C9. Interactions of cathepsin L residues with atoms of (c) PC-0626568, (d) E-64d, and (e) GH4. keywords: activities; amino; anti; atoms; autodock; binding; bonds; c25; carbon; catalytic; cathepsin; cell; center; colour; complex; complexes; contacts; cov-2; cytochrome; d435; distance; docking; drug; edge; energies; energy; entry; face; figure; format; forms; free; h163; halogen; human; hydrogen; hydrogen bonds; hydrophobic; indian; inflammatory; inhibitors; interactions; kcal; ligand; medicinal; medicine; method; minimized; model; mol; molecular; molecules; n398; natural; non; number; p450; pbsa; pc-0626568; pdb; phytochemical; phytochemical inhibitors; plants; pose; potential; present; properties; protease; protein; residues; rmsd; sars; section; simulation; stacking; stage; structure; subsite; substrate; supplementary; swissadme; table; target; tmprss2; tmprss2 residues; traditional; type; type hydrogen; value; vina; vnnadmet; w189 cache: cord-286655-5vorrnq3.txt plain text: cord-286655-5vorrnq3.txt item: #41 of 70 id: cord-287123-ldkuwcc7 author: He, Hui-Qiong title: The Formyl Peptide Receptors: Diversity of Ligands and Mechanism for Recognition date: 2017-03-13 words: 13841 flesch: 35 summary: The fibrinolytic receptor for urokinase activates the g protein-coupled chemotactic receptor fprl1/lxa4r Identification of fam3d as a new endogenous chemotaxis agonist for the formyl peptide receptors Distinct signaling cascades elicited by different formyl peptide receptor 2 (fpr2) agonists The synthetic peptide trp-lys-tyr-met-val-d-met inhibits human monocyte-derived dendritic cell maturation via formyl peptide receptor and formyl peptide receptor-like 2 Synthetic peptide mmk-1 is a highly specific chemotactic agonist for leukocyte fprl1 A novel peptide agonist of formyl-peptide receptor-like 1 (alx) displays anti-inflammatory and cardioprotective effects Tethered ligand library for discovery of peptide agonists Design, synthesis and characterization of fmlf-mimicking aapeptides Characterization of quin-c1 for its anti-inflammatory property in a mouse model of bleomycin-induced lung injury Stable formyl peptide receptor agonists that activate the neutrophil nadph-oxidase identified through screening of a compound library A non-peptide receptor inhibitor with selectivity for one of the neutrophil formyl peptide receptors, fpr 1 Molecular docking of 2-(benzimidazol-2-ylthio)-n-phenylacetamide-derived small-molecule agonists of human formyl peptide receptor 1 Further studies on 2-arylacetamide pyridazin-3(2H)-ones: Design, synthesis and evaluation of 4,6-disubstituted analogs as formyl peptide receptors (fprs) agonists High-throughput screening for small-molecule activators of neutrophils: Identification of novel n-formyl peptide receptor agonists Gastrin-releasing peptide/neuromedin b receptor antagonists pd176252, pd168368, and related analogs are potent agonists of human formyl-peptide receptors Lipoxins and aspirin-triggered 15-epi-lipoxins are the first lipid mediators of endogenous anti-inflammation and resolution The lipoxin receptor alx: Potent ligand-specific and stereoselective actions in vivo Lipoxins: Update and impact of endogenous pro-resolution lipid mediators Resolution of inflammation: State of the art, definitions and terms Identification, cloning, and functional characterization of a murine lipoxin a4 receptor homologue gene Lipoxin a(4) metabolites/analogues from two commercial sources have no effects on tnf-alpha-mediated priming or activation through the neutrophil formyl peptide receptors What formyl peptide receptors, if any, are triggered by compound 43 and lipoxin a4? a and formyl peptide receptor-like 1 genes in synovial tissue is associated with matrix metalloproteinase production in patients with inflammatory arthritis Opposing regulation of interleukin-8 and nf-kappab responses by lipoxin a4 and serum amyloid a via the common lipoxin a receptor Differential production of leukotriene b4 or prostaglandin e2 by wkymvm or serum amyloid a via formyl peptide receptor-like 1 Serum amyloid a opposes lipoxin a(4) to mediate glucocorticoid refractory lung inflammation in chronic obstructive pulmonary disease Serum amyloid a mediates human neutrophil production of reactive oxygen species through a receptor independent of formyl peptide receptor like-1 Endogenous acute phase serum amyloid a lacks pro-inflammatory activity, contrasting the two recombinant variants that activate human neutrophils through different receptors Serum amyloid a1 isoforms display different efficacy at toll-like receptor 2 and formyl peptide receptor 2 An il-23r/il-22 circuit regulates epithelial serum amyloid a to promote local effector th17 responses Th17 cell induction by adhesion of microbes to intestinal epithelial cells Pleiotropic roles of formyl peptide receptors Beta amyloid peptide (abeta42) is internalized via the g-protein-coupled receptor fprl1 and forms fibrillar aggregates in macrophages Humanin, a newly identified neuroprotective factor, uses the g protein-coupled formylpeptide receptor-like-1 as a functional receptor N-formylated humanin activates both formyl peptide receptor-like 1 and 2 An annexin 1 n-terminal peptide activates leukocytes by triggering different members of the formyl peptide receptor family Neutrophil nadph-oxidase activation by an annexin ai peptide is transduced by the formyl peptide receptor (fpr), whereas an inhibitory signal is generated independently of the fpr family receptors Mouse cathelin-related antimicrobial peptide chemoattracts leukocytes using formyl peptide receptor-like 1/mouse formyl peptide receptor-like 2 as the receptor and acts as an immune adjuvant Fprl1-mediated induction of superoxide in ll-37-stimulated imr90 human fibroblast Ll-37 inhibits serum amyloid a-induced il-8 production in human neutrophils Human endogenous antibiotic ll-37 stimulates airway epithelial cell proliferation and wound closure The pro-inflammatory peptide ll-37 promotes ovarian tumor progression through recruitment of multipotent mesenchymal stromal cells Leucine leucine-37 uses formyl peptide receptor-like 1 to activate signal transduction pathways, stimulate oncogenic gene expression, and enhance the invasiveness of ovarian cancer cells The expression of beta-defensin-2, 3 and ll-37 induced by candida albicans phospholipomannan in human keratinocytes Leukotriene b4/antimicrobial peptide ll-37 proinflammatory circuits are mediated by blt1 and fpr2/alx and are counterregulated by lipoxin a4 and resolvin e1 keywords: acids; activation; activities; activity; acute; addition; affinity; agonistic; agonists; allosteric; amino; amyloid; analysis; annexin; antagonists; anti; arg; asp; assays; aureus; bacterial; binding; boc; calcium; cells; characterization; chemotactic; chemotaxis; compound; concentrations; csh; cxcr4; derivative; different; disease; docking; effects; endogenous; epithelial; expression; fam3d; family; figure; flow; fmlf; fmlp; formyl; formyl peptide; fpr1; fpr2; fpr3; fprs; functional; gene; gpcr; group; high; homology; host; human; human formyl; human fpr1; identification; important; induced; infection; inflammation; inflammatory; inhibit; inhibition; inhibitory; interaction; intracellular; leucyl; leukocytes; library; ligand; like; lipoxin; ll-37; loop; low; lxa4; lys; mechanism; members; mfpr; mice; migration; mobilization; model; molecular; molecules; monocytes; mouse; murine; natural; neutrophil; new; non; novel; pattern; pbp10; pepducins; peptide; peptide receptor; phagocytes; phe; phenylalanine; positive; potency; potent; production; properties; protein; quin; recent; receptor; recognition; related; release; reported; residues; resolvin; responses; role; rs1; saa; screening; second; selection; selective; selectivity; sequence; serum; signaling; sites; small; species; specific; staphylococcus; structural; studies; study; superoxide; synthesis; synthetic; terminal; transmembrane; trp; tyr; upar; wkymvm cache: cord-287123-ldkuwcc7.txt plain text: cord-287123-ldkuwcc7.txt item: #42 of 70 id: cord-287754-dh6abx2t author: Akkouh, Ouafae title: Lectins with Anti-HIV Activity: A Review date: 2015-01-06 words: 6973 flesch: 42 summary: Mannose binding lectin triggers the complement pathway culminating in pathogen opsonization and phagocytosis. Microcystis viridis Solution structure of the monovalent lectin microvirin in complex with Man(α)(1-2)Man provides a basis for anti-HIV activity with low toxicity Mechanism by which the lectin actinohivin blocks HIV infection of target cells The high mannose-type glycan binding lectin actinohivin: Dimerization greatly improves anti-HIV activity A β-galactose-specific lectin isolated from the marine worm Chaetopterus variopedatus possesses anti-HIV-1 activity A new lectin from the sea worm Serpula vermicularis: Isolation, characterization and anti-HIV activity C-type lectin mermaid inhibits dendritic cell mediated HIV-1 transmission to CD4+T cells Mannose-binding geometry of pradimicin A Expression of mannose binding lectin in HIV-1-infected brain: keywords: acid; actinohivin; action; activities; activity; affinity; agardhii; agents; agglutinin; aids; amino; anti; antiviral; apoptosis; artocarpus; binding; binds; carbohydrate; cd4; cells; chain; characterization; concanavalin; cyanobacterium; cyanovirin; dendritic; development; different; direct; effects; entry; envelope; family; fusion; galanthus; glycans; glycoproteins; glycosylation; gp120; gp41; griffithsin; high; hiv; hiv activity; hiv-1; holstii; host; human; immunodeficiency; infected; infection; inhibition; inhibitory; inhibits; jacalin; kda; lectin; linker; lymphocytes; mannose; mass; mechanism; microbicide; microcystis; microvirin; molecular; myrianthus; narcissus; nivalis; non; novel; number; oscillatoria; plant; potent; potential; protein; pseudonarcissus; recognition; related; research; residues; resistant; scytovirin; sequence; sign; sites; specific; specificity; strains; structure; sugar; surface; target; transmission; type; urtica; viral; virus; viruses; worm cache: cord-287754-dh6abx2t.txt plain text: cord-287754-dh6abx2t.txt item: #43 of 70 id: cord-289288-46nyje11 author: Piotrowska, Dorota G. title: Novel Isoxazolidine and γ-Lactam Analogues of Homonucleosides date: 2019-11-06 words: 7535 flesch: 53 summary: Communication préliminaire Isoxazolidine analogs of nucleosides Inhibition of HIV-1 replication by isoxazolidine and isoxazole sulfonamides Pyrinodemins B-D, potent cytotoxic bis-pyridine alkaloids from marine sponge amphimedon sp Synthesis and Biological Activity of Isoxazolidinyl Polycyclic Aromatic Hydrocarbons: Potential DNA Intercalators Inhibition of ErbB2(Her2) expression with small molecule transcription factor mimics Isoxazolidinyl polycyclic aromatic hydrocarbons as DNA-intercalating antitumor agents Design, synthesis and cytotoxicity of a new series of isoxazolidine based nucleoside analogues Antibacterial activity, quantitative structure-activity relationship and diastereoselective synthesis of isoxazolidine derivatives via 1,3-dipolar cycloaddition of D-glucose derived nitrone with olefin Enhancement in antimicrobial activity of 2-(phenyl)-3-(2-butyl-4-chloro-1H-imidazolyl)-5-butylate isoxazolidine Enantioselective Syntheses and Cytotoxicity of N,O-Nucleosides Synthesis of C-4 Truncated Phosphonated Carbocyclic 2 -Oxa-3 -azanucleosides as Antiviral Agents Synthesis of Phosphonated Carbocyclic 2 -Oxa-aza-nucleosides: Novel Inhibitors of Reverse Transcriptase Phosphonated Carbocyclic 2 -Oxa-3 -azanucleosides as New Antiretroviral Agents Effect of phosphonated carbocyclic 2 -oxa-3 -aza-nucleoside on human T-cell leukemia virus type 1 infection in vitro Diastereo-and enantioselective synthesis of N,O-nucleosides Enantioselective synthesis of homocarbocyclic-2 -oxo-3 -azanucleosides Diastereoselective synthesis of homo-N,O-nucleosides Diastereoselective synthesis of a collection of new homonucleoside mimetics containing pyrrolo[1,2-b]isoxazoline and pyrrolidine rings Synthesis of N,O-homonucleosides with high conformational freedom Syntheses of isoxazolinyl and isoxazolidinyl nucleoside analogues Synthesis of novel isoxazolidine analogues of homonucleosides Novel isoxazolidine analogues of homonucleosides and homonucleotides Structure of neooxazolomycin, an antitumor antibiotic Specific Inhibitors of Plant Transformation Stereoselective synthesis of (5S,6S)-and (5S,6R)-aza-muricatacin from an L-glutamic acid derivative Muricatacin: A simple biologically active acetogenin derivative from the seeds of annona muricata (annonaceae) Synthesis of aza-muricatacin: An analogue of the bioactive muricatacin an acetogenin of Annonaceae Study of the structure-activity relationships of the acetogenin of annonaceae, muricatacin and analogues Natural and synthetic α-methylenelactones and α-methylenelactams with anticancer potential Crystal structure, absolute configuration, and phosphodiesterase inhibitory activity of (+)-1-(4-bromobenzyl)-4 Evaluation of Nigerian traditional medicines: 1. 1 -Homonucleosides containing adenine 1 or guanine 2 were found to be active against herpes simplex virus (minimum inhibitory concentration (MIC) keywords: 1,3; activity; amorphous; analogues; antiviral; cell; chloroform; cis-14a; cis-15; colorless; column; compounds; concentration; cytotoxic; ddd; derivatives; dipolar; dna; entry; field; figure; formation; h3α; h3β; h4α; h4β; hcc; hch; homonucleosides; human; hydrogenation; isoxazolidine; kbr; lactam; m.p; max; methanol; mixture; nitrones; nucleobase; respective; scheme; solid; structure; synthesis; table; trans-14a; trans-15; transformation; ura; uracil; virus cache: cord-289288-46nyje11.txt plain text: cord-289288-46nyje11.txt item: #44 of 70 id: cord-290855-6umgvt28 author: Ma, Li title: Antiviral Effects of Plant-Derived Essential Oils and Their Components: An Updated Review date: 2020-06-05 words: 5630 flesch: 38 summary: The preparative high-performance chromatography in terms of thin-layer chromatography, gas chromatography, and liquid chromatography, as well as the state-of-the-art equipment for structural elucidation facilitates the fractionation of EO components and evaluation of their bioactivities. From a new drug discovery point of view, isolation and in-detail studies of individual EO components that are far more bioactive than the EO mixture deserve our more attention. keywords: action; activities; activity; acyclovir; addition; adsorption; antifungal; antiviral; assay; bioactive; broad; carvacrol; caryophyllene; cells; chemical; combination; components; concentration; drug; effect; efficacy; enveloped; eos; essential; essential oils; eucalyptus; example; germacrone; herpes; high; host; hsv-1; human; ifv; individual; infection; influenza; inhibit; inhibition; interaction; major; mechanisms; monoterpenes; multiple; new; non; officinalis; oils; oregano; oseltamivir; overall; oxygenated; plant; potential; properties; proteins; replication; results; review; rna; simplex; spectrum; studies; study; tat; therapeutic; treatment; type; value; virus; viruses cache: cord-290855-6umgvt28.txt plain text: cord-290855-6umgvt28.txt item: #45 of 70 id: cord-291180-xurmzmwj author: Lin, Xiaoqian title: A Review on Applications of Computational Methods in Drug Screening and Design date: 2020-03-18 words: 7739 flesch: 35 summary: With the assembly of reasonable molecular fragments, the objective of drug design method is to produce a certain novel molecule that display highest biological activity, absorption, metabolism, elimination (ADME) and lowest toxicity properties at different environments, which belong to the application range of QSAR models. Different drug design methods and virtual screening will be very useful to design and find rational drug molecules based on the target macromolecule that interacts with the drug and thus speed up the whole drug discovery process. keywords: activity; addition; affinity; agents; algorithms; analysis; anti; antibacterial; applications; approach; big; binding; biological; biomolecular; building; calculations; cancer; channel; characteristics; chembl; chemical; classification; complex; complexes; complexity; compounds; computational; computer; concept; data; databases; datasets; decision; deep; design; development; different; discovery; disease; docking; drug; drug design; drug discovery; dynamics; effective; effects; energy; experimental; features; field; fragment; high; identification; important; information; inhibitors; interactions; key; large; lead; learning; ligand; machine; macromolecule; methods; model; modeling; molecular; molecules; multiple; multiscale; networks; neural; new; novel; novo; number; order; pharmacological; pharmacophore; preclinical; prediction; process; properties; protein; ptml; qsar; quantitative; recent; receptor; related; relationship; scales; screening; search; silico; simulations; sites; small; specific; structure; study; system; target; technology; theory; time; tool; toxicity; training; use; virtual; way cache: cord-291180-xurmzmwj.txt plain text: cord-291180-xurmzmwj.txt item: #46 of 70 id: cord-295171-vx4cypf7 author: Li, Shi-Fang title: In Vitro and in Vivo Antiviral Activity of Mizoribine Against Foot-And-Mouth Disease Virus date: 2019-05-03 words: 4559 flesch: 44 summary: The inhibitory effect of mizoribine on FMDV infection in IBRS-2 cells was calculated by measuring cell viability using the results of MTS assay. The inhibitory effect of mizoribine on FMDV infection in IBRS-2 cells was calculated by measuring cell viability using the results of MTS assay. keywords: activity; antiviral; assay; by/2010; cells; concentration; control; data; dependent; differences; disease; dmso; dose; drug; effect; efficacy; expression; figure; fmdv; foot; group; guanosine; histopathological; ibrs-2; impdh; infected; infection; inhibition; inhibitory; mice; mizoribine; mouth; mrna; mts; my98; post; protection; protein; purine; replication; results; significant; study; synthesis; time; tissue; treatment; type; virus; vivo cache: cord-295171-vx4cypf7.txt plain text: cord-295171-vx4cypf7.txt item: #47 of 70 id: cord-295229-dxl7wvcx author: Liu, Kelly Y. P. title: Anti-Inflammatory and Anti-Allergic Activities of Pentaherb Formula, Moutan Cortex (Danpi) and Gallic Acid date: 2013-02-25 words: 4206 flesch: 46 summary: The reduced ICAM-1 expression on IL-33 activated KU812 cells suggests that PHF, DP and GA may inhibit the endothelial transmigration of basophiles to the inflamed sites, and dampen the subsequent allergic responses [30] The aim of this study was to elucidate the potential anti-inflammatory and anti-allergic activities of PHF, Moutan Cortex (Danpi/DP) and gallic acid (GA) using human basophils (KU812 cells), which are crucial effector cells in allergic inflammation. keywords: acid; activation; activities; adhesion; allergic; analysis; anti; asthma; atopic; basophils; ccl2; ccl5; cells; chemokines; children; chinese; cortex; cxcl8; cytokines; danpi; data; dermatitis; dexamethasone; diseases; effects; eosinophils; expression; figure; formula; ga10; gallic; herbal; human; il-33; il-6; inflamed; inflammation; inflammatory; intracellular; ku812; medicine; min; molecules; p38; pentaherb; phf; phosphorylation; present; protein; release; sites; skin; study; suppression; th2; treatment; usa; use cache: cord-295229-dxl7wvcx.txt plain text: cord-295229-dxl7wvcx.txt item: #48 of 70 id: cord-299985-9954q0zg author: Illesca, Paola title: Protective Effects of Eicosapentaenoic Acid Plus Hydroxytyrosol Supplementation Against White Adipose Tissue Abnormalities in Mice Fed a High-Fat Diet date: 2020-09-27 words: 6852 flesch: 36 summary: The incorporation of EPA into EWAT also improved the content of DHA in this tissue, increasing DHA levels in CD animals, with normalization in HFD mice achieving levels observed in CD group (Table 3) . The supplementation with EPA plus HT in HFD mice showed an even greater effect, restoring the expression levels of Nrf2, GCL and GST to control values, and normalizing the DNA binding activity of Nrf2 (Figure 2A-D) . keywords: acid; activation; activities; activity; adipocytes; adiponectin; adipose; administration; animals; antioxidant; binding; cell; combined; comparable; content; control; data; decrease; depletion; dha; diet; diminished; dna; dysfunction; effect; eicosapentaenoic; energy; enzyme; epa; ewat; expression; factor; fatp1; fatty; fed; figure; gene; glutathione; groups; hfd; high; higher; hydroxytyrosol; improved; increase; inflammation; inflammatory; insulin; lcpufas; leptin; levels; lipogenic; liver; lpl; metabolic; mice; mitochondrial; mrna; n-3; nrf2; number; obesity; oxidative; parameters; ppar; protein; results; significant; srebp-1c; stress; study; supplementation; table; tissue; total; usa; values cache: cord-299985-9954q0zg.txt plain text: cord-299985-9954q0zg.txt item: #49 of 70 id: cord-300872-blycbi4u author: Saadeh, Haythem A. title: Recent Advances in the Synthesis and Biological Activity of 8-Hydroxyquinolines date: 2020-09-21 words: 16497 flesch: 40 summary: In this context, Hu and coworkers prepared new derivatives of the known potent antibacterial agent 2,6-difluoro-3-hydroxybenzamide (DFMBA) In this context, Hu and coworkers prepared new derivatives of the known potent antibacterial agent 2,6-difluoro-3-hydroxybenzamide (DFMBA) keywords: a549; acid; active; activities; activity; addition; agents; alzheimer; anion; antibacterial; anticancer; antifungal; antiviral; assay; aureus; base; better; bioactivity; biological; cancer; carbon; carboxylic; carcinoma; cell; ciprofloxacin; clioquinol; coli; compounds; concentration; condensation; conditions; conjugates; corresponding; coworkers; cytotoxicity; deprotection; derivatives; different; disease; drug; effective; evaluation; figure; free; good; gram; group; growth; hand; hct; hela; higher; human; hybrid; hydroxyl; hydroxyquinoline; hydroxyquinoline derivatives; ic50; inhibition; inhibition activity; inhibitory; lines; lipophilicity; low; metal; method; microwave; mmt; moiety; molecules; negative; new; normal; novel; p53; phenolic; position; positive; potent; potential; prepared; prepared compounds; presence; procedure; products; properties; quinolone; r =; range; reaction; recent; reference; resistant; results; review; ring; scheme; series; standard; staphylococcus; step; strains; structure; study; substituents; sugar; synthesis; synthetic; target; treatment; triazole; values; yield; zone cache: cord-300872-blycbi4u.txt plain text: cord-300872-blycbi4u.txt item: #50 of 70 id: cord-302190-co4tju7u author: Yu, Sheng title: A Review on the Phytochemistry, Pharmacology, and Pharmacokinetics of Amentoflavone, a Naturally-Occurring Biflavonoid date: 2017-02-16 words: 5394 flesch: 24 summary: Biflavones in Selaginella species Redox-active biflavonoids from Garcinia brasiliensis as inhibitors of neutrophil oxidative burst and human erythrocyte membrane damage Anti-inflammatory activity of flavonoids from Chrozophora tinctoria Protective effects of amentoflavone on Lamin A-dependent UVB-induced nuclear aberration in normal human fibroblasts Cytotoxic flavonoids and other constituents from the stem bark of Ochna schweinfurthiana Structure-activity relationship study of biflavonoids on the Dengue virus polymerase DENV-NS5 RdRp Amentoflavone stimulates mitochondrial dysfunction and induces apoptotic cell death in Candida albicans Amentoflavone protects hippocampal neurons: Anti-inflammatory, antioxidative, and antiapoptotic effects Protection effect of amentoflavone in Selaginella tamariscina against TNF-α-induced vascular injure of endothelial cells Chinese Pharmacopeia Commission. Pharmacopoeia of the People's Republic of China Isolation and structural elucidation of chemical constituents of Amanoa almerindae Constituents and antiulcer effect of Alchornea glandulosa: Activation of cell proliferation in gastric mucosa during the healing process Phenolic compounds in leaves of Alchornea triplinervia: Anatomical localization, mutagenicity, and antibacterial activity Flavonoids and other constituents from Aletris spicata and their chemotaxonomic significance Antimalarial and vasorelaxant constituents of the leaves of Allanblackia monticola The separation and indentification of biflavonoids from Androsace umbellata Tirucallane glycoside from the leaves of Antidesma bunius and inhibitory NO production in BV2 cells and RAW264.7 macrophages Squalene and amentoflavone from Antidesma laciniatum Amentoflavone from Biophytum sensitivum and its effect on COX-1/COX-2 catalysed prostaglandin biosynthesis Flavonoids from Biota semipervirens Flavonoids and antiulcerogenic activity from Byrsonima crassa leaves extracts Mutagenic evaluation and chemical investigation of Byrsonima intermedia A. Juss. keywords: acetate; acid; activation; active; activity; administration; albicans; amentoflavone; animals; anti; antibacterial; antifungal; apoptosis; biflavones; biflavonoid; biloba; bioactive; bioactivities; calophyllum; candida; cells; central; chemical; chemical constituents; chinensis; chinese; chromatography; cnestis; compounds; constituents; content; cycas; cytotoxic; dependent; derivatives; determination; diabetes; effects; endothelial; evaluation; expression; extraction; extracts; fatty; ferruginea; fibroblasts; flavonoids; fruits; garcinia; glycosides; human; increase; induced; inflammatory; inhibit; inhibition; inhibitory; investigation; isolated; isolation; large; leaves; medicines; mice; mitochondrial; model; natural; nervous; new; normal; nuclear; number; oral; pharmacokinetic; pharmacological; phenolic; phytochemical; plants; present; protein; rats; receptor; regulate; response; selaginella; selaginella tamariscina; senescence; solvent; sources; species; structure; studies; study; synthase; synthesis; system; table; tamariscina; taxus; total; traditional; tumor; uvb; virus cache: cord-302190-co4tju7u.txt plain text: cord-302190-co4tju7u.txt item: #51 of 70 id: cord-306633-69ljgkqy author: Završnik, Davorka title: Benzylidene-bis-(4-Hydroxycoumarin) and Benzopyrano-Coumarin Derivatives: Synthesis, (1)H/(13)C-NMR Conformational and X-ray Crystal Structure Studies and In Vitro Antiviral Activity Evaluations date: 2011-07-19 words: 3304 flesch: 49 summary: The biological activities of coumarin derivatives, in particular their therapeutic application as anticoagulant and antibacterial agents [3] , has stimulated further interest for the synthesis of this class of compounds. for C 27 H 18 O 8 : C 68 History of the development and applications of coumarin and coumarin-related compounds Novobiocin and related coumarins and depletion of heat shock protein 90-dependent signaling proteins Simple coumarins and analogues in medicinal chemistry: Occurrence, synthesis and biological activity Synthesis and antimicrobial evaluation of coumarin derivatives Synthesis and antioxidant activity of selected 4-methylcoumarins Synthetic approaches and biological activities of 4-hydroxycoumarin derivatives Synthesis of hydroxycoumarins and hydroxybenzo[f]-or keywords: activities; activity; analysis; anti; antiviral; atoms; benzopyranocoumarin; benzylidene; bonds; c.f; cell; chemical; compounds; concentration; coumarins; crystal; cultures; cytotoxic; data; derivatives; feline; figure; herpes; hiv; human; hydrogen; hydroxycoumarin; hydroxyl; kos; mcc; moieties; molecules; nmr; noe; ppm; protons; rings; signals; spectra; structure; synthesis; virus cache: cord-306633-69ljgkqy.txt plain text: cord-306633-69ljgkqy.txt item: #52 of 70 id: cord-307731-a2fqmaly author: Vázquez, Javier title: Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches date: 2020-10-15 words: 11917 flesch: 33 summary: RSC Adv Discovery of cyanopyridine scaffold as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors through virtual screening and preliminary hit optimisation Virtual screening for potential allosteric inhibitors of cyclin-dependent kinase 2 from traditional chinese medicine Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3) New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations: A cross-docking study Molecular dynamics simulations and kinetic measurements to estimate and predict protein-ligand residence times Structural stability predicts the binding mode of protein-ligand complexes OpenEye Scientic Software. SIFt is included in Arpeggio [142] , a web server for the analysis of protein interactions with small-molecule ligands, proteins, and DNA. keywords: 3d similarity; active; activity; algorithm; analysis; application; approaches; atoms; available; better; binding; biological; calculations; candidates; challenge; chemical; chemical libraries; combination; combined; compounds; computational; data; database; design; development; different; discovery; discussion; docking; docking methods; drug; drug design; energy; example; features; figure; final; fingerprints; framework; free; fusion; generation; hit; hits; hybrid; identification; information; inhibitors; interaction; large; lbvs; learning; libraries; library; ligand; ligand interaction; like; main; measurements; methods; model; molecular; molecular docking; molecular similarity; molecules; new; novel; novo; number; order; parallel; performance; pharmacophore; physicochemical; pocket; popss; poses; potential; ppi; prediction; process; properties; prospective; protein; protocol; qsar; query; range; ranking; receptor; reference; results; review; rocs; sb methods; sbvs; score; scoring; screening; search; selection; sequential; set; sets; shape; similarity; site; small; space; specific; strategies; strategy; structure; studies; study; target; techniques; template; validation; virtual; virtual screening; years cache: cord-307731-a2fqmaly.txt plain text: cord-307731-a2fqmaly.txt item: #53 of 70 id: cord-309722-04pp3lv0 author: Qiu, Yingshan title: Delivery of RNAi Therapeutics to the Airways—From Bench to Bedside date: 2016-09-20 words: 13217 flesch: 36 summary: tablets Nanomedicine as an emerging platform for metastatic lung cancer therapy Aerosol gene delivery using viral vectors and cationic carriers for in vivo lung cancer therapy Akt/protein kinase B is constitutively active in non-small cell lung cancer cells and promotes cellular survival and resistance to chemotherapy and radiation Dual expression of shAkt1 and Pdcd4 suppresses lung tumorigenesis in K-ras LA1 mice Suppression of lung cancer progression by biocompatible glycerol triacrylate-spermine-mediated delivery of shAkt1 Lentivirus-AIMP2-DX2 shRNA suppresses cell proliferation by regulating Akt1 signaling pathway in the lungs of AIMP2+/-Mice Factors involved in the aerosol transmission of infection and control of ventilation in healthcare premises Pulmonary codelivery of doxorubicin and siRNA by pH-sensitive nanoparticles for therapy of metastatic lung cancer A novel platform to enable inhaled naked RNAi medicine for lung cancer In vivo tumor targeting via nanoparticle-mediated therapeutic siRNA coupled to inflammatory response in lung cancer mouse models Knockdown of the sodium-dependent phosphate co-transporter 2b (NPT2b) suppresses lung tumorigenesis Gene silencing in a mouse lung metastasis model by an inhalable dry small interfering RNA powder prepared using the supercritical carbon dioxide technique Nanostructured lipid carriers as multifunctional nanomedicine platform for pulmonary co-delivery of anticancer drugs and siRNA Modelling Myc inhibition as a cancer therapy Co-delivery of doxorubicin and Bcl-2 siRNA by mesoporous silica nanoparticles enhances the efficacy of chemotherapy in multidrug-resistant cancer cells RPN2 gene confers docetaxel resistance in breast cancer Prognostic and therapeutic impact of RPN2-mediated tumor malignancy in non-small-cell lung cancer Co-delivery of chemosensitizing siRNA and an anticancer agent via multiple monocomplexation-induced hydrophobic association Polypeptide cationic micelles mediated co-delivery of docetaxel and siRNA for synergistic tumor therapy Co-delivery of siRNAs and anti-cancer drugs using layered double hydroxide nanoparticles Bcl-2 inhibitors: Targeting mitochondrial apoptotic pathways in cancer therapy Akt1 is an important mediator of cell growth, proliferation and survival of non-small cell lung cancer (NSCLC). keywords: acid; activation; activity; acute; administration; aerosol; airway; akt1; allergic; aln; alveolar; antisense; antiviral; approach; asthma; autophagy; barriers; cancer; cells; cellular; challenge; chronic; clearance; clinical; complex; copd; ctgf; cytokines; death; delivery; deposition; development; different; disease; disorders; dna; drug; effect; effective; efficacy; escape; essential; expression; factor; fibrosis; following; functions; gene; growth; high; host; immune; infection; inflammation; inflammatory; influenza; inhalation; inhaled; inhibition; inhibitors; injury; interference; intracellular; intranasal; intratracheal; key; kinase; leading; lipid; long; lung; lung cancer; macrophages; major; management; mechanisms; metastatic; mice; model; molecules; mouse; mrna; mucus; multiple; naked; nanoparticles; need; new; non; novel; nucleic; pathogenesis; pathway; patients; pei; peptide; phase; potential; primary; production; promising; protein; pulmonary; pulmonary delivery; receptor; reduced; region; regulation; replication; resistance; respiratory; response; review; rnai; rnai molecules; rnai therapeutics; role; route; rsv; rsv01; serum; severe; short; signaling; significantly; silencing; sirna; sirna delivery; small; specific; structure; studies; study; suppression; surfactant; syk; syncytial; system; systemic; targeting; targets; term; tgf; therapeutic; therapy; tnf; transcription; transfection; treatment; tuberculosis; tumor; types; tyrosine; vectors; viral; virus; viruses; vitro; vivo cache: cord-309722-04pp3lv0.txt plain text: cord-309722-04pp3lv0.txt item: #54 of 70 id: cord-310268-8q4tk6fd author: Zhu, Qinchang title: DNA Aptamers in the Diagnosis and Treatment of Human Diseases date: 2015-11-25 words: 8657 flesch: 42 summary: DNA polymerase In vitro selection of RNA molecules that bind specific ligands Selection in vitro of single-stranded DNA molecules that fold into specific ligand-binding structures Selection of single-stranded DNA molecules that bind and inhibit human thrombin Aptamers as therapeutics Single-Stranded DNA Aptamers against Pathogens and Toxins: Identification and Biosensing Applications A Highlight of Recent Advances in Aptamer Technology and Its Application Aptamers and their biological applications Applications of aptamers for chemistry analysis, medicine and food security Outlook for Aptamers after Twenty Five Years RNA aptamers as genetic control devices: The potential of riboswitches as synthetic elements for regulating gene expression Pegaptanib (Macugen): Treating neovascular age-related macular degeneration and current role in clinical practice Aptamer nanomedicine for cancer therapeutics: Barriers and potential for translation Aptamers Market-Global Forecast to 2020 Post-SELEX chemical optimization of a trypanosome-specific RNA aptamer Building oligonucleotide therapeutics using non-natural chemistries Inhibition of HIV-1 protease expression in T cells owing to DNA aptamer-mediated specific delivery of siRNA Improving the Stability of Aptamers by Chemical Modification Influence of the 2 1 -hydroxyl group conformation on the stability of A-form helices in RNA Oligonucleotide Aptamers: New Tools for Targeted Cancer Therapy In vitro selection of functional nucleic acids Aptamers Overview: Selection, Features and Applications Single-stranded DNA (ssDNA) production in DNA aptamer generation Development of a novel DNA aptamer ligand targeting to primary cultured tumor endothelial cells by a cell-based SELEX method DNA aptamer evolved by cell-SELEX for recognition of prostate cancer Development of an efficient targeted cell-SELEX procedure for DNA aptamer reagents A two-step stimulus-response cell-SELEX method to generate a DNA aptamer to recognize inflamed human aortic endothelial cells as a potential in vivo molecular probe for atherosclerosis plaque detection Evolution of DNA aptamers through in vitro metastatic-cell-based systematic evolution of ligands by exponential enrichment for metastatic cancer recognition and imaging In silico maturation of binding-specificity of DNA aptamers against Proteus mirabilis A novel protocol for generating high-affinity ssDNA aptamers by using alternating magnetic fields Magnetic-assisted rapid aptamer selection (MARAS) for generating high-affinity DNA aptamer using rotating magnetic fields Rapid one-step selection method for generating nucleic acid aptamers: Development of a DNA aptamer against alpha-bungarotoxin Array-based evolution of DNA aptamers allows modelling of an explicit sequence-fitness landscape Single-Round Patterned DNA Library Microarray Aptamer Lead Identification The application of a modified nucleotide in aptamer selection: Novel thrombin aptamers containing 5-(1-pentynyl)-2 1 -deoxyuridine Molecular evolution of functional nucleic acids with chemical modifications Novel combinatorial selection of phosphorothioate oligonucleotide aptamers Chemically modified nucleic acid aptamers for in vitro selections: Evolving evolution Effect of 3 1 -end capping of aptamer with various 2 1 ,4 1 -bridged nucleotides: Enzymatic post-modification toward a practical use of polyclonal aptamers Application of locked nucleic acids to improve aptamer in vivo stability and targeting function Locked nucleic acids: A promising molecular family for gene-function analysis and antisense drug development Selection of LNA-containing DNA aptamers against recombinant human CD73 Synthesis and properties of mirror-image DNA Simple PEG Modification of DNA Aptamer Based on Copper Ion Coordination for Tumor Targeting A multivalent DNA aptamer specific for the B-cell receptor on human lymphoma and leukemia Affinity analysis of DNA aptamer-peptide interactions using gold nanoparticles Aptamer-functionalized PEG-PLGA nanoparticles for enhanced anti-glioma drug delivery Selective Delivery of an Anticancer Drug with Aptamer-Functionalized Liposomes to Breast Cancer Cells in vitro and in vivo DNA aptamer-micelle as an efficient detection/delivery vehicle toward cancer cells Applications of Aptasensors in Clinical Diagnostics In vitro selection of DNA aptamers to anthrax spores with electrochemiluminescence detection DNA Aptamer Selected against Pancreatic Ductal Adenocarcinoma for in vivo Imaging and Clinical Tissue Recognition Cell-SELEX based selection and characterization of DNA aptamer recognizing human hepatocarcinoma Molecular Recognition of Human Liver Cancer Cells Using DNA Aptamers Generated via Cell-SELEX Cell-SELEX based selection and optimization of DNA aptamers for specific recognition of human cholangiocarcinoma QBC-939 cells A cell-based single-stranded DNA aptamer specifically targets gastric cancer A DNA aptamer with high affinity and specificity for molecular recognition and targeting therapy of gastric cancer In Vitro Selection of DNA Aptamers for Metastatic Breast Cancer Cell Recognition and Tissue Imaging Selection of DNA Aptamers against Glioblastoma Cells with High Affinity and Specificity DNA aptamers that target human glioblastoma multiforme cells overexpressing epidermal growth factor receptor variant III in vitro Selection of DNA Aptamers against Epithelial Cell Adhesion Molecule for Cancer Cell Imaging and Circulating Tumor Cell Capture Probing high affinity sequences of DNA aptamer against VEGF165 Selection of DNA aptamers against VEGF(165) using a protein competitor and the aptamer blotting method In Vitro Selection of DNA Aptamers to Glioblastoma Multiforme Selection and characterization of DNA aptamers for use in detection of avian influenza virus H5N1 Development of a fluorescent enzyme-linked DNA aptamer-magnetic bead sandwich assay and portable fluorometer for sensitive and rapid leishmania detection in sandflies Label-free detection of prion protein with its DNA aptamer through the formation of T-Hg2+-T configuration Application of a novel in vitro selection technique to isolate and characterise high affinity DNA aptamers binding mammalian prion proteins Structural basis for discriminatory recognition of Plasmodium lactate dehydrogenase by a DNA aptamer Screening of DNA Aptamers against Myoglobin Using a Positive and Negative Selection Units Integrated Microfluidic Chip and Its Biosensing Application Development of a DNA aptamer for direct and selective homocysteine detection in human serum DNA aptamer-based detection of prostate cancer DNA aptamers against the MUC1 tumour marker: Design of aptamer-antibody sandwich ELISA for the early diagnosis of epithelial tumours Sensitive point-of-care monitoring of cardiac biomarker myoglobin using aptamer and ubiquitous personal glucose meter C-reactive protein, inflammation and coronary heart disease DNA aptamer-based surface plasmon resonance sensing of human C-reactive protein Homocysteine level and coronary heart disease incidence: A systematic review and meta-analysis Thrombin, inflammation, and cardiovascular disease: An epidemiologic perspective Aptamer binding assays for proteins: The thrombin example-A review Design strategies for aptamer-based biosensors Aptamer-based molecular recognition for biosensor development Aptamer in bioanalytical applications Aptamer-based biosensors for biomedical diagnostics Structure-switching signaling aptamers Structure-switching signaling aptamers: Transducing molecular recognition into fluorescence signaling Enzyme-Linked Small-Molecule Detection Using Split Aptamer Ligation Target-induced conjunction of split aptamer fragments and assembly with a water-soluble conjugated polymer for improved protein detection An aptamer-based biosensor for sensitive thrombin detection keywords: acid; affinity; antibodies; antibody; application; aptamers; as1411; aunps; beads; binding; biomarkers; cancer; cells; change; chemical; clinical; cost; delivery; detection; development; diagnosis; diseases; dissociation; dna; dna aptamers; drug; evolution; example; factor; figure; fluorescence; form; generation; gold; high; human; imaging; immobilized; increase; library; like; magnetic; metastatic; method; mode; modification; modified; molecular; molecules; myoglobin; nanoparticles; negative; non; nuclease; nucleic; oligonucleotides; pcr; pdac; phase; potential; process; promising; protein; rapid; recognition; rna; samples; sandwich; selected; selection; selex; sequences; signal; single; small; specific; specificity; ssdna; stability; step; structure; studies; surface; switching; target; targeted; targeting; therapeutic; therapy; thrombin; tissue; tools; treatment; trial; tumor; use; virus; vivo; way; xq-2d cache: cord-310268-8q4tk6fd.txt plain text: cord-310268-8q4tk6fd.txt item: #55 of 70 id: cord-313668-zz32fpvz author: Tian, Yong-Qi title: Asteltoxins with Antiviral Activities from the Marine Sponge-Derived Fungus Aspergillus sp. SCSIO XWS02F40 date: 2015-12-26 words: 4382 flesch: 54 summary: On the basis of its properties of culture and morphology, and ITS phylogenetic analysis, strain SCSIO XWS02F40 was identified as a member of the Aspergillus genus, and was named as Aspergillus sp. SCSIO XWS02F40. On the basis of its properties of culture and morphology, and ITS phylogenetic analysis, strain SCSIO XWS02F40 was identified as a member of the Aspergillus genus, and was named as Aspergillus sp. SCSIO XWS02F40. keywords: activities; activity; addition; agar; antiviral; aspergillus; asteltoxin; bruker; c-17; carbons; china; chromone; compound; configuration; correlation; data; extract; figure; formula; fungus; group; h1n1; h3n2; hmbc; hresims; influenza; light; marine; medium; methines; molecular; new; nmr; noesy; oxygenated; presence; quaternary; relative; scsio; scsio xws02f40; sea; sequence; spectra; spectrum; sponge; strain; virus; xws02f40 cache: cord-313668-zz32fpvz.txt plain text: cord-313668-zz32fpvz.txt item: #56 of 70 id: cord-316474-407bthqj author: Huang, Jian title: Bioinformatics Resources and Tools for Phage Display date: 2011-01-18 words: 6415 flesch: 49 summary: Mimotope sequence might be very similar or even identical to one part of its template sequence, indicating the location of the protein-protein interaction site [2, 25] . Eyes and tools are often used to align mimotope sequence to its template. keywords: acid; affinity; algorithm; alignment; amino; analysis; antibodies; antibody; antigen; applications; aspd; available; binding; bioinformatics; category; clones; clusters; combinatorial; computational; conformational; consensus; corresponding; database; different; discontinuous; display; distance; epitope; graph; identification; interactions; interface; libraries; library; mapitope; mapping; method; mimodb; mimotope; mimotope sequence; mimox; molecule; monoclonal; motifs; new; pairs; patch; peptides; phage; phage display; prediction; present; program; propagation; protein; random; receptor; relic; residues; results; screening; search; selection; sequence; server; set; sets; small; solved; special; specific; structure; surface; target; technology; template; tools; tups; unrelated; web cache: cord-316474-407bthqj.txt plain text: cord-316474-407bthqj.txt item: #57 of 70 id: cord-320143-08gk0nmi author: Proskurnina, Elena V. title: Antioxidant Potential of Antiviral Drug Umifenovir date: 2020-03-30 words: 5215 flesch: 38 summary: Molecules 2020, 25, x FOR PEER REVIEW 5 of 11 where c is Umifenovir concentration, nM. (a) (b) The Trolox-equivalent antioxidant capacity of a substance can be determined using TRAP or TAR (Total Antioxidant Reactivity) methodology Antioxidant Capacity in μM of Trolox, Mean ± Standard Deviation, n = 9 where c is Umifenovir concentration, nM. The Trolox-equivalent antioxidant capacity of a substance can be determined using TRAP or TAR (Total Antioxidant Reactivity) methodology keywords: activity; antioxidant; antioxidant activity; antioxidant capacity; antioxidant effect; antiviral; arbidol; area; calculated; capacity; chemiluminescence; computer; concentration; constants; depression; effect; experimental; fast; figure; free; influenza; kinetics; latent; level; lipid; medium; nm −1; oxidative; period; plots; potential; radical; rate; reactions; scavenging; simulation; slow; solution; stress; strong; study; substance; tar; total; total antioxidant; trap; trolox; umifenovir; weak cache: cord-320143-08gk0nmi.txt plain text: cord-320143-08gk0nmi.txt item: #58 of 70 id: cord-324829-0nz0qioh author: Carabineiro, Sónia Alexandra Correia title: Applications of Gold Nanoparticles in Nanomedicine: Recent Advances in Vaccines † date: 2017-05-22 words: 7662 flesch: 32 summary: Recent advances toward clinical applications Polymeric nanoparticles Potent vectors for vaccine delivery targeting cancer and infectious diseases Tracking Targeted Bimodal Nanovaccines: Immune Responses and Routing in Cells, Tissue, and Whole Organism Protection of non-human primates against glanders with a gold nanoparticle glycoconjugate vaccine Synthesis of tumor-associated MUC1-glycopeptides and their multivalent presentation by functionalized gold colloids Metal Based Frameworks for Drug Delivery Systems Gold Nanoparticles: Recent Advances in the Biomedical Applications Additives for vaccine storage to improve thermal stability of adenoviruses from hours to months Assessment of gold nanoparticles as a size-dependent vaccine carrier for enhancing the antibody response against synthetic foot-and-mouth disease virus peptide Structure function attributes of gold nanoparticle vaccine association: Effect of particle size and association temperature Intracellular accumulation and immunological properties of fluorescent gold nanoclusters in human dendritic cells Different-Sized Gold Nanoparticle Activator/Antigen Increases Dendritic Cells Accumulation in Liver-Draining Lymph Nodes and CD8+T Cell Responses Yeast-Expressed Bacteriophage-Like Particles for the Packaging of Nanomaterials Polyelectrolyte Multilayers Assembled Entirely from Immune Signals on Gold Nanoparticle Templates Promote Antigen-Specific T Cell Response Impact of dose, route, and composition on the immunogenicity of immune polyelectrolyte multilayers delivered on gold templates Construction and Immunological Evaluation of CpG-Au@HBc Virus-Like Nanoparticles as a Potential Vaccine Ultrasmall Graphene Oxide Supported Gold Nanoparticles as Adjuvants Improve Humoral and Cellular Immunity in Mice Engineered CpG-Antigen Conjugates Protected Gold Nanoclusters as Smart Self-Vaccines for Enhanced Immune Response and Cell Imaging Endotoxin Nanovesicles: Hydrophilic Gold Nanodots Control Supramolecular Lipopolysaccharide Assembly for Modulating Immunological Responses Epidermal powder immunization induces both cytotoxic T-lymphocyte and antibody responses to protein antigens of influenza and hepatitis B viruses Powder and particle-mediated approaches for delivery of DNA and protein vaccines into the epidermis Recent advances in Hepatitis B vaccination Nanoparticulate mediated transcutaneous immunization: Myth or reality A Solid-in-Oil Dispersion of Gold Nanorods Can Enhance Transdermal Protein Delivery and Skin Vaccination A microarray MEMS device for biolistic delivery of vaccine and drug powders Cancer: Gold nanoparticles were coated with the F1-antigen of Yersinia pestis (bacterium responsible for the plague), using N-hydroxysuccinimide and N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide A recent study showed that animals immunized with a transmissible gastroenteritis virus, conjugated with colloidal gold nanoparticles, produced antibodies with a higher titer than those produced in response to the native virus keywords: able; activity; adjuvant; advances; antibodies; antibody; antigen; applications; approach; assembly; au@ova; cancer; carbohydrate; carriers; causes; cd8; cells; cellular; coated; colloidal; conjugates; cpg; delivery; dendritic; design; development; different; disease; dna; effective; effects; encephalitis; enhanced; figure; free; glycan; glyconanoparticles; glycoprotein; gold; gold nanoparticles; gp120; great; hepatitis; high; hiv; immune; immunity; immunization; immunological; immunotherapy; important; infection; like; m2e; method; mice; molecules; nanomaterials; nanoparticles; nanovaccines; new; novel; peptide; potential; promising; protection; protein; recent; recombinant; response; results; role; self; skin; specific; stability; stable; surface; synthesis; synthesized; synthetic; systems; target; therapeutic; time; toxicity; treatment; tumor; types; use; usgo; vaccination; vaccine; viral; virus; viruses; vivo cache: cord-324829-0nz0qioh.txt plain text: cord-324829-0nz0qioh.txt item: #59 of 70 id: cord-330253-9sqizkio author: Mowaka, Shereen title: Enhanced Extraction Technique of Omarigliptin from Human Plasma—Applied to Biological Samples from Healthy Human Volunteers date: 2020-09-15 words: 4096 flesch: 42 summary: Human plasma samples were collected after 1.5 h (t(max)) of Marizev(®) (12.5 mg) tablets administration to healthy human volunteers showing average concentration of 292.18 nM. Validation results were all satisfactory including successful stability studies with bias below 12%. Matrix factor was estimated Molecules 2020, 25, 4232 4 of 11 by calculating the ratio of the peak area in the presence of the matrix components of human plasma (blank matrix as human plasma sample spiked after extraction with the drug under investigation, OTN), to the peak area in absence of the human plasma matrix components (solution of the drug, OTN). keywords: acetonitrile; analysis; analytical; authors; bio; blank; clinical; current; dee; diabetes; different; direct; dose; drug; enhanced; extraction; fda; figure; healthy; human; human plasma; liquid; lloq; matrix; method; mixture; omarigliptin; otn; outcomes; patients; pharmacokinetic; plasma; precipitation; rats; samples; standard; studies; study; tbme; technique; weekly cache: cord-330253-9sqizkio.txt plain text: cord-330253-9sqizkio.txt item: #60 of 70 id: cord-330813-43l9m0yh author: Ishihara, Masayuki title: Safety of Concentrated Bioshell Calcium Oxide Water Application for Surface and Skin Disinfections against Pathogenic Microbes date: 2020-10-01 words: 5171 flesch: 46 summary: BiSCaO Water and 0.4 and 0.2 wt.% (final 0.2 and 0.1 wt.%, respectively) of BiSCaO suspension, dispersion, and colloidal dispersion were below the detection limit (< 10 CFU/mL), whereas 10-100 and 1000-10,000 CFU/mL of both TC and CF remained viable following treatment with 0.1 wt.% (final 0.05 wt.%) and 0.05 wt.% (final 0.025 wt.%) of BiSCaO suspension, dispersion, and colloidal dispersion, respectively ( Figure 6 ). BiSCaO Water and 0.4 and 0.2 wt.% (final 0.2 and 0.1 wt.%, respectively) of BiSCaO suspension, dispersion, and colloidal dispersion were below the detection limit (< 10 CFU/mL), whereas 10-100 and 1000-10,000 CFU/mL of both TC and CF remained viable following treatment with 0.1 wt.% (final 0.05 wt.%) and 0.05 wt.% (final 0.025 wt.%) of BiSCaO suspension, dispersion, and colloidal dispersion, respectively ( Figure 6 ). keywords: activities; activity; air; biscao; biscao suspension; biscao water; caco; calcium; cfu; colloidal; colloidal dispersion; diluted; disinfection; dispersion; edx; elemental; figure; final; fold; insoluble; interaction; ions; japan; ltd; mapping; min; particles; plate; powder; ray; results; shell; skin; stirring; supernatant; surfaces; suspension; treatment; viable; water; wet; white; wood; wt.%; wt.% biscao cache: cord-330813-43l9m0yh.txt plain text: cord-330813-43l9m0yh.txt item: #61 of 70 id: cord-331504-b68y9hxw author: Piotrowska, Dorota G. title: New Isoxazolidine-Conjugates of Quinazolinones—Synthesis, Antiviral and Cytostatic Activity date: 2016-07-22 words: 4453 flesch: 51 summary: Among all tested compounds, isoxazolidines trans-11f/cis-11f (90:10), trans-11h and trans-11i/cis-11i were slightly active toward TK + VZV strain (EC 50 = 6.84, 15.29 and 9.44 µM) without exhibiting cytotoxicity toward uninfected cells at concentration up to 100 µM A multifaceted GABAA receptor modulator: Functional properties and mechanism of action of the sedative-hypnotic and recreational drug methaqualone (quaalude) Synthesis and Anxiosedative and Antidepressant Properties of α-(4-Oxoquinazolin-3(4H)-yl)carboxylic Acid Anilides Anticonvulsant and sedative-hypnotic activity of some novel 3-(5-(4-substituted) phenyl-1,3,4-oxadiazole-2yl)-2-styrylquinazoline-4(3H)-ones Synthesis and in vitro antitumor activities of novel 4-anilinoquinazoline derivatives New Quinazolinone Derivatives: Synthesis, Anti-inflammatory and Antitumor Activities Synthesis and in vitro antitumor activity of substituted quinazoline and quinoxaline derivatives: Search for anticancer agent Synthesis and Biological Evaluation of a Novel Series of 6,8-Dibromo-4(3H)quinazolinone Derivatives as Anticancer Agents Synthesis and antiviral activities of some 2,3-disubstituted quinazoline derivatives Synthesis, antiviral activity, 3D-QSAR, and interaction mechanisms study of novel malonate derivatives containing quinazolin-4(3H)-one moiety Synthesis, anti-tobacco mosaic virus and cucumber mosaic virus activity, and 3D-QSAR study of novel 1,4-pentadien-3-one derivatives containing 4-thioquinazoline moiety Synthesis, antiviral and antimicrobial activities of quinazoline urea analogues Development of (E)-2-((1,4-Dimethylpiperazin-2-ylidene)amino)-5-nitro-Nphenylbenzamide, ML336: Recent advances of quinazolinone derivatives as marker for various biological activities Quinazolinones as antimicrobial agents: A review Quinazolinone: An overview Quinazoline marketed drugs-A Review Synthetic Approaches towards Quinazolines, Quinazolinones and Quinazolinediones on Solid Phase A novel and other bioactive secondary metabolites from a marine fungus Penicillium oxalicum 0312F 1 Triazoles and Other N-Containing Metabolites from the Marine-Derived Endophytic Fungus Pencillinum chrysogenum EN-118 Triazole and Dihydroimidazole Alkaloids from the Marine Sediment-Derived Fungus Penicillium paneum SD-44 Quinazolinone alkaloids from actinomycete Streptomyces sp. keywords: 13a; activities; activity; analogues; antiviral; benzyl; biological; cis; compounds; crude; cycloaddition; data; derivatives; h4α; h4β; isoxazolidines; methyl; mixture; mmol; moiety; new; nmr; novel; ones; phosphonates; quinazolinone; reaction; ring; scheme; series; spectra; strain; studies; synthesis; table; trans-11; vinyl-3h; virus; vzv cache: cord-331504-b68y9hxw.txt plain text: cord-331504-b68y9hxw.txt item: #62 of 70 id: cord-334511-lx9608vy author: Emwas, Abdul-Hamid title: NMR as a “Gold Standard” Method in Drug Design and Discovery date: 2020-10-09 words: 29290 flesch: 43 summary: Furthermore, the slow time scale of NMR relaxation allows the user to manipulate the external conditions (i.e., length and power of pulse) to increase the resolution of targets and potential drugs [155] in NMR drug design experiments. However, this slow timescale also sets the lower limit at which NMR drug design experiments can be performed [155] , meaning that any external manipulations cannot decrease experimental time below a certain threshold. keywords: 19f; 2d nmr; ability; acid; acquisition; active; activity; additional; advantages; affinity; amino; amyloid; analysis; application; applied; approach; atomic; authors; available; basic; binding; binding ligands; biological; biophysical; blood; bulk; cancer; case; cell; cell nmr; changes; chapter; characterization; chemical; cisplatin; clinical; coherence; common; complex; complexes; compounds; concentration; correlation; cost; cosy; coupling; cpmg; cross; crystallography; data; design; detailed; details; detection; determination; development; different; different nmr; diffusion; diffusion nmr; dimensional; direct; discovery; disease; dna; docking; domain; drug; drug design; drug development; drug discovery; dynamics; edited; effect; effective; efficient; energy; enhancement; equation; et al; evaluation; example; exchange; excitation; experiments; extended; fast; fbdd; field; figure; following; fragment; free; future; gradient; group; heteronuclear; high; higher; hit; hmbc; hsqc; hts; human; identification; increase; induced; information; inhibitors; intensity; interactions; interest; known; labeling; large; lead; levels; ligand; lipid; longitudinal; low; lower; magnetic; magnetization; mapping; mass; mdm2; measure; measurements; membrane; metabolism; metabolites; metabolomics; metal; methods; methyl; mixing; models; molecular; molecules; motion; multidimensional; multiple; natural; negative; new; nmr; nmr data; nmr drug; nmr experiments; nmr methods; nmr relaxation; nmr screening; nmr spectra; nmr spectroscopy; nmr studies; nmr techniques; noe; noes; non; novel; nuclear; nuclei; number; observation; observed; optimization; order; organic; orientation; overhauser; p53; paramagnetic; patients; peak; period; phase; plane; polarization; position; positive; possible; potential; powerful; practical; presence; present; principles; probe; process; profiling; properties; protein; proton; ptac2s; pulse; range; rapid; rate; rats; ray; recent; receptor; recovery; related; relaxation; research; researchers; resolution; resonance; response; results; review; sample; sar; saturation; scheme; screening; second; selective; sensitive; sensitivity; sequence; serum; shift; signal; significant; silico; single; site; size; skov-3; small; solid; solvent; specific; spectra; spectrometry; spectrum; spin; ssnmr; state; state nmr; std; std nmr; structure; studies; study; synthesis; system; table; target; techniques; throughput; time; tocsy; tool; transfer; transverse; treatment; type; use; useful; validation; values; viral; virtual; virtual screening; virus; water; waterlogsy; work; years cache: cord-334511-lx9608vy.txt plain text: cord-334511-lx9608vy.txt item: #63 of 70 id: cord-340879-gu91cact author: Li, Miao title: Isolation and Characterization of a Phaseolus vulgaris Trypsin Inhibitor with Antiproliferative Activity on Leukemia and Lymphoma Cells date: 2017-01-23 words: 4161 flesch: 46 summary: Gold bean trypsin inhibitor is dissimilar from broad bean trypsin inhibitor [9] in that the former lacks HIV-1 reverse transcriptase inhibitory activity. Gold bean trypsin inhibitor is dissimilar from broad bean trypsin inhibitor [9] in that the former lacks HIV-1 reverse transcriptase inhibitory activity. keywords: activities; activity; antifungal; assay; bean; bean trypsin; buffer; cells; cellulose; characterization; chromatography; column; concentration; different; dithiothreitol; dna; dtt; fraction; gbti; gel; gold; hiv-1; inhibitor; inhibitory activity; integrase; isolation; kda; l1210; mbl2; min; nacl; phaseolus; protease; proteins; purification; purified; reaction; results; reverse; sars; seeds; sepharose; sequence; soybean; su2; table; transcriptase; trypsin; trypsin inhibitor; type; unadsorbed; vulgaris cache: cord-340879-gu91cact.txt plain text: cord-340879-gu91cact.txt item: #64 of 70 id: cord-344175-e2m9o8c2 author: Lentini, Giovanni title: COVID-19, Chloroquine Repurposing, and Cardiac Safety Concern: Chirality Might Help date: 2020-04-16 words: 2146 flesch: 37 summary: The desperate need to find drugs for COVID-19 has brought the attention of numerous scholars to the repurposing of known drugs as tentative COVID-19 therapeutics. It is logical that repurposing known drugs for COVID-19 may be first considered from pharmacological agents with proven efficacy against other highly pathogenic viral infections. keywords: activity; agents; antimalarial; binding; cardiac; channel; chiral; chloroquine; clinical; concern; covid-19; drugs; ebola; efficacy; enantiomers; herg; human; hydroxychloroquine; interactions; kir2.1; known; lethal; medicines; old; patients; potassium; racemate; related; repurposing; safety; sars; stereoselectivity; studies; trials; use cache: cord-344175-e2m9o8c2.txt plain text: cord-344175-e2m9o8c2.txt item: #65 of 70 id: cord-347992-coby2m6e author: Marton, Soledad title: In Vitro and Ex Vivo Selection Procedures for Identifying Potentially Therapeutic DNA and RNA Molecules date: 2010-06-28 words: 10046 flesch: 39 summary: It has been shown that an antagonist RNA aptamer against CTLA-4, a negative regulator of T-cell activation, inhibits its function [101] , while an agonistic aptamer against 4-1BB, a major co-stimulatory receptor, leads to the activation of T cells RNA aptamers have been selected against different viral enzymes and proteins involved in host-cell interactions, such as HIV-1 reverse transcriptase (RT), HIV-1 glycoprotein 120, HCV RNA-dependent RNA polymerase (RdRp), SARS coronavirus NTPase/helicase, and the hemagglutinin protein of human influenza virus B, all of which show efficient viral inhibition [138] keywords: acids; activation; active; activity; addition; adhesion; advances; affinity; agents; anti; antidote; applications; aptamer; binding; blood; cancer; capable; catalytic; cells; cellular; chain; characterization; chemical; cleavage; clinical; conjugates; coronary; cycle; delivery; dependent; development; different; diseases; dna; dnazymes; domain; drug; e2f; effect; efficient; endothelial; evolution; expression; factor; family; formation; function; gene; great; group; growth; growth factor; hcv; hepatitis; high; hiv-1; hne; human; identification; ige; inhibited; inhibition; inhibitory; inhibits; interest; ires; ischemia; isolation; ixa; ligands; lna; loop; membrane; model; modifications; molecular; molecules; natural; neutrophil; new; novel; nucleic; nucleic acids; nucleotides; number; oligonucleotide; patients; pdgf; phase; phenotype; platelet; polymerase; pool; population; possible; potential; procedures; properties; protein; recent; receptor; region; replication; resistance; ret; review; ribozyme; rna; rna aptamers; rna molecules; role; selected; selection; selex; sequence; signaling; sirna; sites; specific; step; strategies; strategy; studies; study; surface; synthesis; system; target; targeted; targeting; techniques; therapeutic; therapy; thrombin; transcription; tumor; use; vascular; vegf; viral; virus; viruses; vitro; vivo; vivo selection cache: cord-347992-coby2m6e.txt plain text: cord-347992-coby2m6e.txt item: #66 of 70 id: cord-349672-2kt7xw8i author: Dasgupta, Tumpa title: Mechanism of Type IA Topoisomerases date: 2020-10-17 words: 8546 flesch: 48 summary: Answers about involvement of the carboxyl-terminal domain in DNA topoisomerase I-mediated catalysis The Zn(II) DNA Topoisomerase I Is Part of a High-Affinity DNA Binding Domain Expression and DNA-binding properties of the 14K carboxyl terminal fragment of Escherichia coli DNA topoisomerase keywords: active; activities; activity; bacterial; base; binding; break; catalytic; cellular; change; cleavage; cleaved; coli dna; coli topoisomerase; complex; conformational; conserved; core; covalent; crystal; cycle; cytosine; dna; dna cleavage; domains; e. coli; enzyme; escherichia; figure; gate; genome; human; iii; iiiβ; interactions; life; mechanism; motifs; mrna; mutation; pdb; phosphate; position; positive; potential; present; protein; relaxation; replication; residues; reverse; rna; rna topoisomerase; role; sequence; single; site; strand; structure; substitution; supercoiling; terminal; terminal domains; top3b; topoisomerase; topoisomerase activity; topoisomerase iiiβ; topological; transcription; tuberculosis; type; type ia; tyrosine; viral cache: cord-349672-2kt7xw8i.txt plain text: cord-349672-2kt7xw8i.txt item: #67 of 70 id: cord-352513-15nalst7 author: Boobphahom, Siraprapa title: Recent Advances in Microfluidic Paper-Based Analytical Devices toward High-Throughput Screening date: 2020-06-28 words: 15489 flesch: 34 summary: A novel paperfluidic closed bipolar electrode-electrochemiluminescence sensing platform: Potential for multiplex detection at crossing-channel closed bipolar electrodes A paper-based electrochemiluminescence electrode as an aptamer-based cytosensor using PtNi@ carbon dots as nanolabels for detection of cancer cells and for in situ screening of anticancer drugs Disposable paper-based bipolar electrode array for multiplexed electrochemiluminescence detection of pathogenic DNAs Electrochemiluminescence on digital microfluidics for microRNA analysis Multiplex quantification of metals in airborne particulate matter via smartphone and paper-based microfluidics Simultaneous quantification of multiple biomarkers on a self-calibrating microfluidic paper-based analytic device Electrochromic sensor for multiplex detection of metabolites enabled by closed bipolar electrode coupling Method Validation for Extraction of Nucleic Acids from Peripheral Whole Blood A comparative evaluation of four DNA extraction protocols from whole blood sample Isothermal Amplification of Nucleic Acids A fully disposable and integrated paper-based device for nucleic acid extraction, amplification and detection A novel mutation tolerant padlock probe design for multiplexed detection of hypervariable RNA viruses Equipment-free nucleic acid extraction and amplification on a simple paper disc for point-of-care diagnosis of rotavirus A Paperfluidic chip device for small RNA extraction, amplification, and multiplexed analysis Metal-enhanced fluorescence/visual bimodal platform for multiplexed ultrasensitive detection of microRNA with reusable paper analytical devices Ultrasensitive microfluidic paper-based electrochemical/visual biosensor based on spherical-like cerium dioxide catalyst for miR-21 detection Visual Detection of DNA on Paper Chips Single-Step Recombinase Polymerase Amplification Assay Based on a Paper Chip for Simultaneous Detection of Multiple Foodborne Pathogens An integrated paper-based sample-to-answer biosensor for nucleic acid testing at the point of care Paper-based nucleic acid amplification tests for point-of-care diagnostics Paper-based microfluidics for rapid diagnostics and drug delivery Shaping up field-deployable nucleic acid testing using microfluidic paper-based analytical devices Paper-Origami-Based Multiplexed Malaria Diagnostics from Whole Blood Paper-based RNA detection and multiplexed analysis for Ebola virus diagnostics Multiplex Paper-Based Colorimetric DNA Sensor Using Pyrrolidinyl Peptide Nucleic Acid-Induced AgNPs Aggregation for Detecting MERS-CoV, MTB, and HPV Oligonucleotides Semiquantitative Nucleic Acid Test with Simultaneous Isotachophoretic Extraction and Amplification Simpler, Faster, and Sensitive Zika Virus Assay Using Smartphone Detection of Loop-mediated Isothermal Amplification on Paper Microfluidic Chips Microfluidic rapid and autonomous analytical device (microRAAD) to detect HIV from whole blood samples. Sensing approaches and progress toward practical applications A fully integrated paperfluidic molecular diagnostic chip for the extraction, amplification, and detection of nucleic acids from clinical samples A paperfluidic platform to detect Neisseria gonorrhoeae in clinical samples Colorimetric Paper Bioassay for the Detection of Phenolic Compounds Fast and flexible strategy to produce electrochemical paper-based analytical devices using a craft cutter printer to create wax barrier and screen-printed electrodes Skiving stacked sheets of paper into test paper for rapid and multiplexed assay A review of current methods in microfluidic device fabrication and future commercialization prospects Recent Developments in Paper-Based Microfluidic Devices Fabrication techniques for microfluidic paper-based analytical devices and their applications for biological testing: A review Fabrication, flow control, and applications of microfluidic paper-based analytical devices Programmable Paper-Based Microfluidic Devices for Biomarker Detections Viscosity measurements utilizing a fast-flow microfluidic paper-based device A review on wax printed microfluidic paper-based devices for international health Colored wax-printed timers for two-dimensional and three-dimensional assays on paper-based devices Fabrication and Characterization of Paper-Based Microfluidics Prepared in Nitrocellulose Membrane by Wax Printing Inkjet-printed barcodes for a rapid and multiplexed paper-based assay compatible with mobile devices Fully inkjet-printed distance-based paper microfluidic devices for colorimetric calcium determination using ion-selective optodes Drop-slip bulk sample flow on fully inkjet-printed microfluidic paper-based analytical device Development of paper-based microfluidic analytical device for iron assay using photomask printed with 3D printer for fabrication of hydrophilic and hydrophobic zones on paper by photolithography Electrochemical Detection for Paper-Based Microfluidics Flexographically Printed Fluidic Structures in Paper A low-cost paper-based platform for fast and reliable screening of cellular interactions with materials Paper-Based Microfluidic Devices by Plasma Treatment Patterning and Modeling Three-Dimensional Microfluidic Devices Fabricated on a Single Sheet of Paper Fabrication of fully enclosed paper microfluidic devices using plasma deposition and etching. keywords: acid; amplification; analysis; analytes; analytical; analytical detection; analytical devices; applications; applied; assay; authors; automated; automation; bacteria; biomarkers; bipolar; blood; cancer; capability; care; cells; channels; chemiluminescence; chemiluminescence detection; chip; clinical; colorimetric; colorimetric detection; concentration; conditions; conductive; contact; control; copyright; cost; current; design; detection; determination; development; devices; diagnosis; dielectric; different; digital; dimensional; diseases; disposable; dmf; dmf devices; dna; droplet; drug; e-µpad; electrochemical; electrochemical detection; electrochemical paper; electrochemiluminescence; electrodes; electrophoretic; environmental; equipment; et al; extraction; fabrication; fast; faster; field; figure; filter; flow; glucose; heating; high; higher; human; hydrophobic; immunoassay; inkjet; integrated; integration; lamp; lateral; layer; limit; limited; low; low detection; mass; materials; measurements; method; microfluidic; microfluidic devices; microfluidic paper; monitoring; multiplexed; multiplexed detection; multistep; nanoparticles; need; new; novel; nucleic; origami; paper; pen; performance; platform; poct; point; portable; potential; printing; processes; production; promising; range; rapid; reaction; reagents; recent; reproducibility; researchers; results; review; rna; sample; screening; sensing; sensitive; sensitivity; sensors; separation; serum; signal; simultaneous; simultaneous detection; single; smartphone; specific; steps; surface; system; target; technique; technology; testing; throughput; time; tools; transport; use; virus; voltage; wax; wide; µpads cache: cord-352513-15nalst7.txt plain text: cord-352513-15nalst7.txt item: #68 of 70 id: cord-352891-ljmkqdzx author: Parang, Keykavous title: Comparative Antiviral Activity of Remdesivir and Anti-HIV Nucleoside Analogs against Human Coronavirus 229E (HCoV-229E) date: 2020-05-17 words: 3177 flesch: 47 summary: 3-azido-2,3-dideoxythymidine (AZT) Treatment of chronic hepatitis B in HIV co-infected patients Emtricitabine, a new antiretroviral agent with activity against HIV and hepatitis B virus Emtricitabine (FTC) for the treatment of HIV infection Synthesis and anti-HIV activities of phosphate triester derivatives of 3 -fluoro-2 ,3 -dideoxythymidine and 3 -azido-2 ,3 -dideoxythymidine Synthesis and biological evaluation of fatty acyl ester derivatives of 2 ,3 -didehydro-2 ,3 -dideoxythymidine Synthesis and biological evaluation of fatty acyl ester derivatives of (-)-2 ,3 -dideoxy-3 -thiacytidine Emtricitabine prodrugs with improved anti-HIV activity and cellular uptake Structure of the RNA-dependent RNA polymerase from COVID-19 virus We acknowledge ImQuest Biosciences for assistance in conducting the antiviral assays. Human Coronaviruses: A Review of Virus-Host Interactions Coronavirus 229E-related pneumonia in immunocompromised patients Clinical and molecular epidemiological features of coronavirus HKU1-associated community-acquired pneumonia Human coronaviruses A Rare Case of Human Coronavirus 229E Associated with Acute Respiratory Distress Syndrome in a Healthy Adult Prophylactic and therapeutic remdesivir (GS-5734) treatment in the rhesus macaque model of MERS-CoV infection Broad-spectrum antiviral GS-5734 inhibits both epidemic and zoonotic coronaviruses Compassionate Use of Remdesivir for Patients with Severe Covid-19 Coronavirus Susceptibility to the Antiviral Remdesivir (GS-5734) Is Mediated by the Viral Polymerase and the Proofreading Exoribonuclease Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV Arguments in favour of remdesivir for treating SARS-CoV-2 infections Broad spectrum antiviral remdesivir inhibits human endemic and zoonotic deltacoronaviruses with a highly divergent RNA dependent RNA polymerase RNA-dependent DNA polymerases Anti-HIV activity of adefovir (PMEA) and PMPA in combination with antiretroviral compounds: In vitro analyses Anti-human immunodeficiency virus activity and cellular metabolism of a potential prodrug of the acyclic nucleoside phosphonate 9-R-(2-phosphonomethoxypropyl)adenine (PMPA) 2 -deoxy-4 -C-ethynyl-2-fluoroadenosine: A nucleoside reverse transcriptase inhibitor with highly potent activity against wide spectrum of HIV-1 strains, favorable toxic profiles, and stability in plasma Concise synthesis of the anti-HIV nucleoside EFdA 3 -substituted 2 ,3 -dideoxynucleoside analogues as potential anti-HIV (HTLV-III/LAV) agents Synthesis, in vitro anti-HIV activity, and biological stability of 5 -O-myristoyl analogue derivatives of 3 -fluoro-2 ,3 -dideoxythymidine (FLT) as potential bifunctional prodrugs of FLT In vitro anti-hepatitis B virus activities of 5-O-myristoyl analogue derivatives of 3-fluoro-2,3-dideoxythymidine (FLT) and keywords: active; activity; acute; acyl; agents; antiviral; assay; broad; cells; clinical; compounds; conjugates; coronaviruses; covid-19; dependent; dna; drug; evaluation; fatty; flt; ftc; hcov-229e; hiv; human; mers; nrtis; nucleoside; patients; polymerase; potential; prodrug; rdrp; remdesivir; respiratory; reverse; rna; sars; severe; spectrum; syndrome; synthesis; transcriptase; treatment; xtt cache: cord-352891-ljmkqdzx.txt plain text: cord-352891-ljmkqdzx.txt item: #69 of 70 id: cord-353494-72fvkx7f author: Singh, Rajveer title: Protease Inhibitory Effect of Natural Polyphenolic Compounds on SARS-CoV-2: An In Silico Study date: 2020-10-10 words: 4683 flesch: 50 summary: Natural compounds always offer a great promise in the cure of critical diseases. The objective of this study is to analyze and predict the anti-protease activity of these compounds on SARS-CoV-2main protease (Mpro) and TMPRSS2 protein. keywords: active; activity; affinity; binding; case; complexes; compounds; cov-2; covid-19; database; different; docking; drug; effect; energy; figure; glucogallin; highest; homology; interaction; kcal; ligand; main; mangiferin; metabolism; model; mol; molecular; molecules; mpro; natural; natural compounds; pbsa; phlorizin; polyphenolic; potential; properties; protease; protein; reference; reference compounds; residues; rmsd; sars; scores; server; simulation; structure; study; swiss; target; tmprss2; toxicity; value; viral cache: cord-353494-72fvkx7f.txt plain text: cord-353494-72fvkx7f.txt item: #70 of 70 id: cord-355685-wgad0eoh author: Francesconi, Valeria title: Synthesis and Biological Evaluation of Novel (thio)semicarbazone-Based Benzimidazoles as Antiviral Agents against Human Respiratory Viruses date: 2020-03-25 words: 6079 flesch: 37 summary: IV Organoplatinum(II) complexes with 2-acetylthiophene thiosemicarbazone: Synthesis, characterization, crystal Structures, and in vitro antitumor activity Synthesis, NMR structural characterization and molecular modeling of substituted thiosemicarbazones and semicarbazones using DFT calculations to prove the syn/anti isomer formation Novel inhibitors of influenza virus fusion: Structure-activity relationship and interaction with the viral hemagglutinin Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus Synthesis, biological evaluation and molecular modeling of novel azaspiro dihydrotriazines as influenza virus inhibitors targeting the host factor dihydrofolate reductase (DHFR) Synthesis and anti-coronavirus activity of a series of 1-thia-4-azaspiro Orally active fusion inhibitor of respiratory syncytial virus Respiratory syncytial virus-The discovery and optimization of orally bioavailable fusion inhibitors. Docking calculations within the X-ray structure of RSV F protein (pdb code = 5KWW) were done using the LeadIT 2.1.8 software suite (www.biosolveit.com) including the FlexX scoring algorithm, which is based on binding free energy calculations by means of Gibbs-Helmholtz equation [35] [36] [37] . keywords: -n(ch; able; acetyl; activity; agents; analogue; analysis; antiviral; atom; benzimidazole; biological; broad; cell; chain; chemical; complex; compounds; concentration; core; coronavirus; corresponding; cytotoxicity; derivatives; development; different; docking; drug; evaluation; f protein; f137; figure; fusion; group; hcv; human; hydrazone; infections; influenza; inhibition; inhibitors; jnj-53718678; low; main; mock; moiety; molecular; new; nmr; novel; pocket; position; potential; ppm; promising; proper; properties; protein; proton; respiratory; ring; rna; rsv; scaffold; series; signal; solution; structure; studies; surface; syncytial; synthesis; target; thio)semicarbazone; thiol; thione; thiosemicarbazone; virus; viruses cache: cord-355685-wgad0eoh.txt plain text: cord-355685-wgad0eoh.txt