item: #1 of 70 id: cord-000445-2x7dfl1q author: Paliwal, Sarvesh K. title: Neglected Disease – African Sleeping Sickness: Recent Synthetic and Modeling Advances date: 2011-05-10 words: 8700 flesch: 40 summary: Thus, because of high selectivity, excellent in vitro and in vivo activity compounds 66 and 32 can serve as a novel lead for further pre-clinical and clinical trials, but its cytotoxcity profile needs to be monitored during its evaluation. The given paper also attempts to investigate the relationship between the various physiochemical parameters and anti-trypanosomal activity that may be helpful in development of potent anti-trypanosomal agents against sleeping sickness. keywords: activity; analogues; anti; brucei; compounds; development; dna; drug; figure; pentamidine; rhodesiense; series; synthesis; vivo cache: cord-000445-2x7dfl1q.txt plain text: cord-000445-2x7dfl1q.txt item: #2 of 70 id: cord-000536-0mn1gbll author: Hu, Le-Le title: Predicting Biological Functions of Compounds Based on Chemical-Chemical Interactions date: 2011-12-29 words: 5173 flesch: 41 summary: In the downloaded STITCH chemicals interactions file: chemical_chemical.links.detailed.v2.0.tsv from http://stitch.embl.de/cgi/show_download_page.pl, there are 337,482 pairs of interactive compounds belonging solely to type I, 73,598 pairs solely in type II, 2,152,508 pairs solely in type III, 384 pairs in both type I and II, 120,936 pairs in both type I and III, 10,372 pairs in both type II and III, and 1,990 pairs in the three types, in total of 2,697,270 interactions. Here, we did not consider the selfinteraction, therefore w q,i~0 when q~i. Accordingly, the likelihood that the query compound C q is involved in the j-th metabolic pathway class can be formulated by the following score which is the sum of the interaction confidence scores of C q with its interactive compounds in the training dataset by counting both the number of interactive compounds and the interaction confidence scores. keywords: chemical; classes; compounds; interaction; metabolic; method; pathway; pathway classes; prediction cache: cord-000536-0mn1gbll.txt plain text: cord-000536-0mn1gbll.txt item: #3 of 70 id: cord-002237-200ondzx author: Dashtdar, Mehrab title: Phenol-Rich Compounds Sweet Gel: A Statistically More Effective Antibiotic than Cloxacillin Against Pseudomonas Aeruginosa date: 2016-09-17 words: 3731 flesch: 41 summary: Recently, Phenol compounds have drawn much attention due to their antioxidants properties and their potential beneficial implications for human health, such as the treatment and the prevention of cancer, cardiovascular disease and other inflammatory diseases. Tannins are phenol compounds that precipitate proteins. keywords: aeruginosa; antibiotic; compounds; effects; gel; healing; phenol; pseudomonas; wounds; zinc cache: cord-002237-200ondzx.txt plain text: cord-002237-200ondzx.txt item: #4 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: activity; compounds; dengue; inhibitors; ns2b; ns3; pro; protease; virus cache: cord-003341-z5w56zeq.txt plain text: cord-003341-z5w56zeq.txt item: #5 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; activity; anti; cancer; cells; compounds; data; derivatives; hydrazide; isatin; ppm; synthesis cache: cord-003427-0dddrh4e.txt plain text: cord-003427-0dddrh4e.txt item: #6 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: activity; amino; cells; chromatography; compound; emodin; flash; hepg2; hepg2 cells; nmr; phase; procedure cache: cord-003539-tazd6dvm.txt plain text: cord-003539-tazd6dvm.txt item: #7 of 70 id: cord-006139-9063uhox author: Egan, Timothy J title: Dual-functioning antimalarials that inhibit the chloroquine-resistance transporter date: 2013-03-27 words: 6932 flesch: 43 summary: The role of the group at the 7-position Carbon isosteres of the 4-aminopyridine substructure of chloroquine: effects on pK a , hematin binding, inhibition of hemozoin formation, and parasite growth Synthesis of 4-aminoquinolines that circumvent drug resistance in malaria parasites Synthesis of ringsubstituted 4-aminoquinolines and evaluation of their antimalarial activities Incorporation of an intramolecular hydrogenbonding motif in the side chain of 4-aminoquinolines enhances activity against drug-resistant Plasmodium falciparum Novel phenothiazine antimalarials: synthesis, antimalarial activity, and inhibition of the formation of beta-haematin Mutations in the Plasmodium falciparum digestive vacuole transmembrane protein PfCRT and evidence for their role in chloroquine resistance Chloroquine resistance in Plasmodium falciparum malaria parasites conferred by pfcrt mutations Several alleles of the multidrug-resistance gene are closely linked to chloroquine resistance in Plasmodium falciparum Amplification of a gene related to mammalian mdr genes in drug-resistant Plasmodium falciparum Pgh1 modulates sensitivity and resistance to multiple antimalarials in Plasmodium falciparum Geographic patterns of Plasmodium falciparum drug resistance distinguished by differential responses to amodiaquine and chloroquine Polymorphisms within PfMDR1 alter the substrate specificity for anti-malarial drugs in Plasmodium falciparum Dual-functioning antimalarials that inhibit the chloroquine-resistance transporter Purified Plasmodium falciparum multi-drug resistance protein (PfMDR 1) binds a high affinity chloroquine analogue Genetic linkage analyses redefine the roles of PfCRT and PfMDR1 in drug accumulation and susceptibility in Plasmodium falciparum Multiple transporters associated with malaria parasite responses to chloroquine and quinine Disruption of a Plasmodium falciparum multidrug resistance-associated protein (PfMRP) alters its fitness and transport of antimalarial drugs and glutathione The malaria parasite's chloroquine resistance transporter is a member of the drug/metabolite transporter superfamily Know your enemy: understanding the role of PfCRT in drug resistance could lead to new antimalarial tactics pfcrt is more than the Plasmodium falciparum chloroquine resistance gene: a functional and evolutionary perspective Chloroquine transport via the malaria parasite's chloroquine resistance transporter Photoaffinity labeling of the Plasmodium falciparum chloroquine resistance transporter with a novel perfluorophenylazido chloroquine Drugresistant malaria: molecular mechanisms and implications for public health PfCRT and its role in antimalarial drug resistance PfCRT-mediated drug transport in malarial parasites Efflux of chloroquine from Plasmodium falciparum: mechanism of chloroquine resistance Reversal of chloroquine resistance in Plasmodium falciparum by verapamil Quinolineresistance reversing agents for the malaria parasite Plasmodium falciparum. These are discussed in relation to the mechanism of action of 4-aminoquinolines, chloroquine resistance and resistance reversal. keywords: activity; antimalarial; chloroquine; compounds; drug; falciparum; figure; formation; group; hemozoin; malaria; parasite; pfcrt; plasmodium; resistance cache: cord-006139-9063uhox.txt plain text: cord-006139-9063uhox.txt item: #8 of 70 id: cord-011251-rjyipcfv author: Chernyshov, Vladimir V. title: Single-stage synthesis of heterocyclic alkaloid-like compounds from (+)-camphoric acid and their antiviral activity date: 2019-02-28 words: 2798 flesch: 40 summary: In vitro screening for activity influenza virus A was carried out for the obtained compounds. The synthesized quinazoline-like agent 14 has inhibitory activity against different strains of influenza viruses. keywords: acid; activity; camphoric; compounds; influenza; synthesis; virus; yield cache: cord-011251-rjyipcfv.txt plain text: cord-011251-rjyipcfv.txt item: #9 of 70 id: cord-012773-wtgk2d68 author: Xu, Ming-ming title: Advances in the development of imaging probes and aggregation inhibitors for alpha-synuclein date: 2019-10-04 words: 10786 flesch: 37 summary: A known modulator of α-syn aggregation, anle138b (20) , was found to exhibit a significant increase in fluorescence upon binding to α-syn fibrils with high affinity (K d = 190 nM) As a main metabolite of green tea polyphenols, protocatechuic acid (48) is able to inhibit α-syn aggregation, disaggregate preformed α-syn fibrils and protect PC12 cells from toxicity caused by α-syn aggregates [133] . keywords: aggregates; aggregation; alpha; amyloid; binding; compound; disease; fibrils; formation; imaging; inhibitors; oligomers; parkinson; probes; protein; syn; syn aggregation; synuclein cache: cord-012773-wtgk2d68.txt plain text: cord-012773-wtgk2d68.txt item: #10 of 70 id: cord-013387-q91052qw author: Leão, Rozires P. title: Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach date: 2020-08-26 words: 12146 flesch: 39 summary: The protonation state of ionizable residues of protein structure was analyzed using the PROPKA The bioactivity score of selected compounds was evaluated using the Molinspiration Server Cheminformatics tool (http://www.molinspiration.com) keywords: affinity; binding; compounds; drug; energy; hcox-2; inflammatory; inhibitors; interaction; ligand; lmqc36; lmqc50; lmqc72; protein; receptor; results; rofecoxib; score; structures; values cache: cord-013387-q91052qw.txt plain text: cord-013387-q91052qw.txt item: #11 of 70 id: cord-014863-jyti99xq author: Karaküçük-İyidoğan, A. title: Synthesis, Biological Evaluation and Ligand Based Pharmacophore Modeling of New Aromatic Thiosemicarbazones as Potential Anticancer Agents date: 2019-05-15 words: 3539 flesch: 50 summary: Compounds Ia and IIa without any substituent group on the benzene ring did not show cytostatic activity. Especially, compound Ig showed the highest cytostatic activity with IC(50) of 0.30, 0.70 and 2.50 μg/mL against HeLa, CEM and L1210 cell lines, respectively. keywords: activity; cell; compounds; cytostatic; pharmacophore; virus cache: cord-014863-jyti99xq.txt plain text: cord-014863-jyti99xq.txt item: #12 of 70 id: cord-016425-8yd2bkf1 author: Strobel, Gary title: Novel Natural Products From Rainforest Endophytes date: 2005 words: 9005 flesch: 40 summary: Cryptocandin is also active against a number of plant pathogenic fungi, including Sclerotinia sclerotiorum and Botrytis cinerea. Pestalotiopsis jesteri is a newly described endophytic fungal species from the Sepik River area of Papua New Guinea, and it produces jesterone and hydroxyjesterone, which exhibit antifungal activity against a variety of plant pathogenic fungi (30) . keywords: acid; activity; compounds; discovery; endophytes; fungal; fungi; fungus; microspora; novel; number; plant; potential; products; species; spp; synthesis; taxol; taxus; world cache: cord-016425-8yd2bkf1.txt plain text: cord-016425-8yd2bkf1.txt item: #13 of 70 id: cord-017041-0zxoq68m author: Volochnyuk, Dmitriy M. title: Fluorine-Containing Diazines in Medicinal Chemistry and Agrochemistry date: 2014-06-13 words: 16532 flesch: 40 summary: Several syntheses of Doxifl uridine relied on glycosylation of Fluorouracil derivative 55 . In particular, reaction of pyrimidine derivatives 68 with P 2 S 5 followed by treatment with Raney nickel and gave alkoxy derivative 69 , which was transformed to 38 upon acidic hydrolysis (Scheme 18 ) keywords: acid; activity; agents; cancer; chemistry; chloride; compounds; containing; derivatives; diazines; drug; effect; fluorouracil; hydrolysis; inhibitor; kinase; medicinal; method; phase; preparation; process; pyrimidine; reaction; receptor; rst; scheme; studies; synthesis; treatment; trials; trifl; uorinated; use cache: cord-017041-0zxoq68m.txt plain text: cord-017041-0zxoq68m.txt item: #14 of 70 id: cord-020010-q58x6xb0 author: None title: 19th ICAR Abstracts: date: 2006-03-13 words: 46881 flesch: 40 summary: Although anti-inflammatory agents are not very active in vitro, it is thought that they might be efficacious in reducing any deleterious inflammatory response associated with virus infections such as SARS infections in humans. Although only BTCRB and BDCRB were inhibitors of the ATPase activity, two other compounds, dBDCRB and Cl4RB, inhibited virus replication in a plaque-reduction assay, thus indicating that those have a different mode of action. keywords: acid; action; activity; agents; animals; antiviral; assay; cdv; cells; combination; compounds; concentrations; containing; control; culture; days; department; derivatives; development; disease; dna; dose; drug; effect; efficacy; gene; hcv; hiv; human; infection; influenza; influenza virus; inhibited; inhibition; inhibitors; institute; mice; model; molecular; mutations; new; novel; nucleoside; polymerase; potent; potential; presence; present; properties; protein; reduction; replication; research; resistance; results; rna; specific; strain; structure; studies; study; synthesis; system; target; tested; therapeutic; therapy; treatment; type; university; usa; virus; virus infection; virus replication; viruses; vitro; vivo cache: cord-020010-q58x6xb0.txt plain text: cord-020010-q58x6xb0.txt item: #15 of 70 id: cord-021013-xvc791wx author: Wink, Michael title: Chapter 1 Allelochemical Properties or the Raison D'être of Alkaloids date: 2008-05-30 words: 16169 flesch: 45 summary: In a number of plants alkaloids are translocated via the phloem (511). The ingestion of a number of allelochemicals such as emetine, lobeline, morphine, and many other alkaloids causes these symptoms (312). keywords: activities; activity; alkaloids; allelochemicals; animals; cells; chemical; compounds; data; defense; effects; food; fungi; herbivores; host; insects; lupines; mechanisms; metabolites; molecules; number; plants; present; products; properties; species; table cache: cord-021013-xvc791wx.txt plain text: cord-021013-xvc791wx.txt item: #16 of 70 id: cord-021419-nypnib0h author: Olsufyeva, Evgenia N. title: Main trends in the design of semi-synthetic antibiotics of a new generation date: 2020-03-17 words: 16294 flesch: 41 summary: Different approaches to the search for new compounds were developed in recent years. Such comprehensive studies can lead to the design and synthesis of new-generation drugs, which would be more effective than the starting antibiotics and which are of theoretical interest as new compounds with high biological activity. keywords: acid; activity; aglycone; amino; analogues; antibiotics; cell; compound; derivatives; dna; eremomycin; gram; group; modification; new; olivomycin; presence; reaction; scheme; series; starting; strains; synthesis; treatment; vancomycin cache: cord-021419-nypnib0h.txt plain text: cord-021419-nypnib0h.txt item: #17 of 70 id: cord-023284-i0ecxgus author: None title: Abstracts of publications related to QASR date: 2006-09-19 words: 19972 flesch: 40 summary: The systems allow interactive data communication among the simulation programs for their strategically combined use; e) The structure and functions of MolWorld is illustrated on modeling the alanine molecule: (i) data model of molecular structures; (ii) chemical formula input; (iii) generation of 3D molecular structure; (iv) formulation of bonding model; (v) interactive molecular orbital graphics; (vi) methods of visualizing electronic structures; (vii) use of molecular orbital graphics for chemical reactions. Title: Retention prediction of analytes in reversed-phase high-performance liquid chromatography based on molecular structure. keywords: activity; analysis; atoms; binding; chemical; compounds; conformations; crystal; data; descriptors; distance; energy; fig; group; linear; logp; method; model; modeling; molecular; molecules; nmr; number; parameters; protein; ray; receptor; relat; results; ring; set; site; solution; steric; structure; substituent; title; type; values cache: cord-023284-i0ecxgus.txt plain text: cord-023284-i0ecxgus.txt item: #18 of 70 id: cord-023584-yaxawqhj author: Bucknall, R.A. title: The Continuing Search for Antiviral Drugs date: 2008-04-10 words: 8499 flesch: 45 summary: Research into the treatment of virus diseases by drugs is at present directed toward three general areas: (1) attempts to stimulate the defense mechanism of the host animal, (2) large screening programs to find drugs which directly block some virus-specific process, and (3) alleviation of the symptoms of the disease. Because of this, it is usually assumed that antiviral drugs will only be of value in preventing and not in curing virus diseases. keywords: activity; animal; cells; compounds; culture; disease; drugs; growth; synthesis; test; tissue; virus; viruses cache: cord-023584-yaxawqhj.txt plain text: cord-023584-yaxawqhj.txt item: #19 of 70 id: cord-024652-4i6kktl0 author: Santra, Hiran Kanti title: Natural Products as Fungicide and Their Role in Crop Protection date: 2020-05-12 words: 20776 flesch: 25 summary: to echinocandin LY303366, itraconazole and amphotericin B Biochemical defense mechanisms in cotton plants against Ramularia leaf spot mediated by silicon In vitro antifungal activity of 2-(3,4-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)-1-methylethyl pentanoate, a dihydro -pyrrole derivative Phytoalexin accumulation in tissues of Brassica napus inoculated with Leptosphaeria maculans Naphthalene, an insect repellent, is produced by Muscodor vitigenus, a novel endophytic fungus Activities of essential oils from Asarum heterotropoides var. mandshuricum against five phytopathogens Antagonist actinomycetes metabolites against plant pathogens fungi of agricultural importance Induction of phytoalexins and proteins related to pathogenesis in plants treated with extracts of cutaneous secretions of southern Amazonian Bufonidae amphibians Natural products in crop protection Bioassay-guided isolation of allelochemicals from Avena sativa L.: allelopathic potential of flavone C-glycosides Antifungal activity of crude extracts from brown and red seaweeds by a supercritical carbon dioxide technique against fruit postharvest fungal diseases Rhizospheric streptomycetes as potential biocontrol agents of Fusarium and Armillaria pine rot and as PGPR for Pinus taeda Geldanamycin, a new antibiotic Induction of Fusarium solani mutants insensitive to tomatine, their pathogenicity and aggressiveness to tomato fruits and pea plants Molecular engineering of resveratrol in plants Antifungal properties of surangin B, a coumarin from Mammea longifolia Phytochemical analysis and antifungal activity of moss Bryum cellulare against some phytopathological fungi Studies on antifungal potential of Bryum cellulare against spore germination of fungus Curvularia lunata In vitro antifungal activity of Plagiochasma appendiculatum against Alternaria solani Evaluation of bryophyte for green fungicides as alternative treatment to control plant pathogen Oxidative ring contraction of the phytoalexin cyclobrassinin: a way to brassilexin Brassilexin, a novel sulphur-containing phytoalexin from Brassica juncea L., (cruciferae) Nees against sporulation and growth of postharvest phytopathogenic fungi Evaluation of Streptomyces griseorubens E44G for the biocontrol of Fusarium oxysporum f. sp. lycopersici: ultrastructural and cytochemical investigations Interactions between a root-knot nematode (Meloidogyne exigua) and arbuscular mycorrhizae in coffee plant development (Coffea arabica) Foliar epicuticular wax of Arrabidaea brachypoda: flavonoids and antifungal activity Metabolites of Helminthosporium monoceras: structures of monocerin and related benzopyrans Trans-trans-3, 11-tridecadiene5, 7, 9-triyne-1,2-diol, an antifungal polyacetylene from diseased safflower (Carthamus tinctorius) Mycofumigation by the volatile organic compound-producing fungus Muscodor albus induces bacterial cell death through DNA damage Mycorrhizal fungi and Trichoderma harzianum as biocontrol agents for suppression of Rhizoctonia solani damping off disease of tomato Effect of volatile metabolites of Trichoderma species against seven fungal plant pathogens in vitro Production of gliotoxin on natural substrates by Trichoderma virens Studies on antagonistic effect against plant pathogenic fungi from endophytic fungi isolated from Houttuynia cordata Thunb. keywords: acid; actinomycetes; activities; activity; agent; albus; antibiotics; antifungal; antimicrobial; bioactive; biocontrol; botrytis; cell; chemical; cinerea; compounds; control; crop; defense; disease; effect; endophytic; et al; extracts; fruits; fungi; fungus; fusarium; growth; host; infection; isolation; leaf; loss; metabolites; muscodor; mycorrhizal; nature; novel; oils; pathogens; penicillium; phytoalexins; phytopathogenic; plant; plant growth; potential; production; products; resistance; rhizoctonia; rice; root; rot; soil; solani; source; species; streptomyces; use; vitro cache: cord-024652-4i6kktl0.txt plain text: cord-024652-4i6kktl0.txt item: #20 of 70 id: cord-025119-201ac32t author: Salman, Saad title: Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors date: 2020-05-21 words: 3148 flesch: 32 summary: It was observed that, among these medicinal compounds, only six compounds showed promising interaction with the active site of SARS proteins as summarized in Table 1 and molecularly represented in Figure 1 and Supplementary Figures 1, 3 , 5 and 7, respectively. Among these agents, medicinal compounds are promising drug candidates for SARS-COV-2, as they are known for their antiviral and immunomodulatory activity since medieval times and some of them are well studied keywords: compounds; cov-2; docking; drug; interaction; proteins; sars; site; toxicity cache: cord-025119-201ac32t.txt plain text: cord-025119-201ac32t.txt item: #21 of 70 id: cord-033493-kslzdy8q author: Hebishy, Ali M. S. title: New Route to the Synthesis of Benzamide-Based 5-Aminopyrazoles and Their Fused Heterocycles Showing Remarkable Antiavian Influenza Virus Activity date: 2020-09-21 words: 3507 flesch: 40 summary: Part 5: Preparation of hitherto unknown 5-aminopyrazole and pyrazolo[1,5-a]pyrimidine derivatives containing sulfamoyl moiety Synthesis of some new purine-related compounds: Regioselective one-pot synthesis of new tetrazolo[1,5-a]pyrimidine, pyrazolo[1,5-a]pyrimidine and pyrimido[1,6-a]-pyrimidine derivatives Novel synthesis of some new pyrimido[1,6-a]pyrimidine and pyrazolo[1,5-a]pyrimidine derivatives Synthesis and in vitro cytotoxic activity of novel pyrazolo[1,5-a]pyrimidines and related Schiff bases Synthesis, Characterization, and Cytotoxicity of some new 5-aminopyrazole and pyrazolo[1,5-a]pyrimidine derivatives Synthesis and antitumor activity of some new pyrazolo[1,5-a]pyrimidines Synthesis, Structural Elucidation, and in vitro Antitumor Activities of Some Pyrazolopyrimidines and schiff bases derived from 5-amino-3-(arylamino)-1H-pyrazole-4-carboxamides Synthesis and in vitro anticancer activity of pyrazolo Synthesis of structurally related purines: Benzimidazo[1,2-a]pyridines, benzimidazo-[1,2-c]-pyrimidines, and pyrazolo-[1,5-a]pyrimidines 1,2,3,4-Tetrahydrobenzimidazo[2,1-b]-quinazoline 1,2-Dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile Antimetabolites : A novel synthesis of nonclassical condensed carbocyclic purine analogues. 1.18−1.27 (t, 3H, CH2-CH 3 ), 1.59−2.00 (4 s, 12H Synthesis of new pyrazole derivatives and their anticancer evaluation Antimicrobial screening and one-pot synthesis of 4-(substituted-anilinomethyl)-3-(2-naphthyl)-1-phenyl-1H-pyrazole derivatives Fused pyrazole derivatives as kinase inhibitors, WO Patent Novel Synthesis and Biological Evaluation of the First Pyrazole Thioglycosides as Pyrazofurin Analogues Novel synthesis of new pyrazole thioglycosides as pyrazomycin analogues pyrimidine TTK Inhibitors: keywords: activity; compounds; derivatives; group; nmr; novel; ppm; pyrazolo[1,5; reaction; synthesis cache: cord-033493-kslzdy8q.txt plain text: cord-033493-kslzdy8q.txt item: #22 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: affinities; affinity; binding; compounds; docking; figure; indole; interactions; mmol; receptor; ring; series; sert cache: cord-034363-6uscua0y.txt plain text: cord-034363-6uscua0y.txt item: #23 of 70 id: cord-103271-l9n27ocf author: Carozza, Jacqueline A title: Structure-aided development of small molecule inhibitors of ENPP1, the extracellular phosphodiesterase of the immunotransmitter cGAMP date: 2020-05-31 words: 5717 flesch: 44 summary: Together, we have developed ENPP1 inhibitors that are excellent tool compounds and potential therapeutics. This work suggests that ENPP1 inhibitors could turn cold tumors hot and render them more sensitive to adaptive immune checkpoint inhibitors. keywords: binding; cancer; cgamp; compound; enpp1; fig; inhibitors; interactions; methoxy; potency; structure cache: cord-103271-l9n27ocf.txt plain text: cord-103271-l9n27ocf.txt item: #24 of 70 id: cord-252108-04xr5xdl author: Havrylyuk, Dmytro title: Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones date: 2013-06-06 words: 3618 flesch: 43 summary: Yield 86%, mp 268e269 C 46 (d, 2H, J ¼ 6.4 Hz, arom), 7.21 (d, 2H, J ¼ 6.4 Hz, arom), 6.90 (br. s, 3H, arom), 5.68 (dd, 1H, CH 2 CH 4-Thiazolidones: centenarian history, current status and perspectives for modern organic and medicinal chemistry Biological activities of pyrazoline derivatives e a recent development Recent advances in the therapeutic applications of pyrazolines Structureeactivity relationship study of a novel necroptosis inhibitor Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-a 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action Synthesis of novel thiazolone-based compounds containing pyrazoline moiety and evaluation of their anticancer activity Synthesis of new 4-azolidinones with 3,5-diaryl-4,5-dihydropyrazole moiety and evaluation of their antitumor activity in vitro Synthesis, cruzain docking, and in vitro studies of aryl-4-oxothiazolylhydrazones against Trypanosoma cruzi Synthesis and structureeactivity relationships of parasiticidal thiosemicarbazone cysteine protease inhibitors against plasmodium falciparum, Trypanosoma brucei, and Trypanosoma cruzi First small molecular inhibitors of T. brucei dolicholphosphate mannose synthase (DPMS), a validated drug target in African sleeping sickness Synthesis of 2-hydrazolyl-4-thiazolidinones based on multicomponent reactions and biological evaluation against T. Cruzi Synthesis and structureeactivity relationship study of potent trypanocidal thio semicarbazone inhibitors of the trypanosomal cysteine protease cruzain Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents Synthesis and anti-HIV studies of 2-adamantyl-substituted thiazolidin-4-ones Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents Predicting anti-HIV activity of 1,3,4-thiazolidinone derivatives: 3D-QSAR approach Design, microwave-assisted synthesis and HIV-RT inhibitory activity of 2-(2,6-dihalophenyl)-3-(4,6-dimethyl-5-(un)substituted-pyrimidin-2-yl)thiazolidin-4-ones Non-nucleoside inhibitors of the hepatitis C virus NS5B RNA-dependant RNA polymerase: 2-aryl-3-heteroaryl-1,3-thiazolidin-4-one derivatives Synthesis and biological activity of 4-(3-aryl-4-oxo-2-thioxothiazolidin-5-ylimino)-3-methyl-1-(N,N-disubstituted aminomethyl) pyrazolin-5-ones Synthesis and antiviral activity of new pyrazole and thiazole derivatives Synthesis and anticancer and antiviral activities of new 2-pyrazoline-substituted 4-thiazolidinones Synthesis and antidepressant activities of some 3,5-diphenyl-2-pyrazolines Synthesis and antihyperglycemic activity of novel 5-(naphthalenylsulfonyl)-2,4-thiazolidinediones Synthesis and in vitro anticancer activity of 2,4-azolidinedione-acetic acids derivatives Structureeanticancer activity relationships among 4-azolidinone-3-carboxylic acids derivatives Synthesis and evaluation of antitumor activity of 5-[2-(3,5-diaryl-4,5-dihydropyrazol-1-yl)-2-oxoethylidene Feasibility of a high-flux anticancer drug screen using a diverse panel of cultured human tumor cell lines Some practical considerations and applications of the national cancer institute in vitro anticancer drug discovery screen Cancer Drug Discovery and Development The NCI60 human tumour cell line anticancer drug screen Synthesis and anticancer activity of novel nonfused bicyclic thiazolidinone derivatives, Phosphorus New 5-arylidene-4-thiazolidinones and their anticancer activity A facile synthesis and anticancer activity evaluation of spiro Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group Synthesis and anticancer activity evaluation of 4-thiazolidinones containing benzothiazole moiety Synthesis and anticancer activity of isatin-based pyrazolines and thiazolidines conjugates Synthesis and antitumor activity of novel 2-thioxo-4-thiazolidinones with benzothiazole moieties Synthesis of new 4ethiazolidinone-, pyrazoline-, and isatin-based conjugates with promising antitumor activity Study of molecular mechanisms of proapoptotic action of novel heterocyclic 4-thiazolidone derivatives In vitro and in vivo assay systems for study of influenza virus inhibitors keywords: activity; anticancer; cell; compounds; concentration; drug; growth; synthesis cache: cord-252108-04xr5xdl.txt plain text: cord-252108-04xr5xdl.txt item: #25 of 70 id: cord-253276-mqcwk2ow author: Desai, N. C. title: Synthesis, antimicrobial and cytotoxic activities of some novel thiazole clubbed 1,3,4-oxadiazoles date: 2013-09-30 words: 2670 flesch: 45 summary: Further, the results of preliminary MTT cytotoxicity studies on HeLa cells suggested that potent antimicrobial activity of 5b, 5c, 5f, 5h and 5i is accompanied by low cytotoxicity. The role of electron withdrawing group in improving antimicrobial activity is very well supported by previous studies [41, 42] . keywords: activity; antibacterial; compounds; para; position; ring; secondary cache: cord-253276-mqcwk2ow.txt plain text: cord-253276-mqcwk2ow.txt item: #26 of 70 id: cord-254036-0karwgz2 author: Wang, Runming title: Bismuth: Environmental Pollution and Health Effects date: 2019-09-12 words: 4496 flesch: 34 summary: The determination of metals (antimony, bismuth, lead, cadmium, mercury, palladium, platinum, tellurium, thallium, tin and tungsten) in urine samples by inductively coupled plasma-mass spectrometry Helicobacter pylori eradication: A new, single-capsule bismuth-containing quadruple therapy Bismuth antimicrobial drugs serve as broad-spectrum metallo-b-lactamase inhibitors Integrative approach for the analysis of the proteome-wide response to bismuth drugs in Helicobacter pylori Metallochaperone UreG serves as a new target for design of urease inhibitor: A novel strategy for development of antimicrobials Biocoordination chemistry of bismuth: Metallic bismuth and bismuth compounds have been widely used in the manufacture of alloys, pigments, cosmetics, and pharmaceuticals. keywords: activity; bismuth; cbs; compounds; drugs; human; lead; metal; potential; pylori; toxicity; treatment cache: cord-254036-0karwgz2.txt plain text: cord-254036-0karwgz2.txt item: #27 of 70 id: cord-255862-84u3c33m author: Kim, Ji Won title: Antiviral escin derivatives from the seeds of Aesculus turbinata Blume (Japanese horse chestnut) date: 2017-07-01 words: 2855 flesch: 53 summary: In this research, we investigated whether escin derivatives 1–7 (including new compounds 2, 3, 5 and 6), without the angeloyl or tigloyl groups and with modified glycosidic linkages by hydrolysis, have PEDV inhibitory effects with less cytotoxicity. When the inhibitory effect of compound 4 was analyzed in detail at the concentrations (B) CPE inhibition assay of the n-BuOH fraction and the reaction fraction at concentrations of 1, 2, 5, and 10 lg/mL. Up to 2 lg/mL, the n-BuOH fraction and the reaction fraction from a two-step hydrolysis showed similar activities, but at high concentrations, the n-BuOH fraction showed cytotoxic effects and the reaction fraction had PEDV inhibitory effects in dose-dependent manner. keywords: compounds; effects; fig; fraction; hydrolysis; pedv cache: cord-255862-84u3c33m.txt plain text: cord-255862-84u3c33m.txt item: #28 of 70 id: cord-259744-r9j5yzfc author: McDonagh, Phillip title: Identification and characterisation of small molecule inhibitors of feline coronavirus replication date: 2014-12-05 words: 5644 flesch: 34 summary: Data analysis were conducted in GraphPad Prism, with the 50% inhibitory concentration (IC50) and 50% cytotoxic concentration (CC50) values calculated using the inbuilt non-linear curve fitting functions following log 10 transformation of compound concentrations. For all tested compounds CPE inhibition remained greater than 50% when compounds were added at the latest tested time point of 6 h postinfection. keywords: assays; cells; chloroquine; compounds; cpe; fcov; inhibition; mefloquine; reduction; virus cache: cord-259744-r9j5yzfc.txt plain text: cord-259744-r9j5yzfc.txt item: #29 of 70 id: cord-260014-q5sug7uu author: Szűcs, Zsolt title: Reprogramming of the Antibacterial Drug Vancomycin Results in Potent Antiviral Agents Devoid of Antibacterial Activity date: 2020-06-29 words: 5215 flesch: 45 summary: Viruses Emerging antiviral strategies to interfere with influenza virus entry Antiviral therapies on the horizon for influenza Advancements in host-based interventions for influenza treatment Fighting viruses with antibiotics: An overlooked path Drug repurposing approaches for the treatment of influenza viral infection: Reviving old drugs to fight against a long-lived enemy Teicoplanin inhibits Ebola pseudovirus infection in cell culture Glycopeptide antibiotics potently inhibit cathepsin L in the late endosome/lysosome and block the entry of Ebola virus, Middle East respiratory syndrome coronavirus (MERS-CoV), and severe acute respiratory syndrome coronavirus (SARS-CoV) Antiretroviral activity of semisynthetic derivatives of glycopeptide antibiotics Polycyclic peptide and glycopeptide antibiotics and their derivatives as inhibitors of HIV entry Inhibition of feline (FIPV) and human (SARS) coronavirus by semisynthetic derivatives of glycopeptide antibiotics Inhibition of hepatitis C virus replication by semi-synthetic derivatives of glycopeptide antibiotics An analogue of the antibiotic teicoplanin prevents Flavivirus entry in vitro Anti-influenza virus activity and structure-activity relationship of aglycoristocetin derivatives with cyclobutenedione carrying hydrophobic chains Intracytoplasmic trapping of influenza virus by a lipophilic derivative of aglycoristocetin Diazo transfer-click reaction route to new, lipophilic teicoplanin and ristocetin aglycon derivatives with high antibacterial and anti-influenza virus activity: An aggregation and receptor binding study Synthesis of fluorescent ristocetin aglycone derivatives with remarkable antibacterial and antiviral activities Synthesis of isoindole and benzoisoindole derivatives of teicoplanin pseudoaglycone with remarkable antibacterial and antiviral activities A few atoms make the difference: Synthetic, CD, NMR and computational studies on antiviral and antibacterial activities of glycopeptide antibiotic aglycone derivatives Semisynthetic teicoplanin derivatives as new influenza virus binding inhibitors: Synthesis and antiviral studies Synthesis and biological evaluation of lipophilic teicoplanin pseudoaglycone derivatives containing a substituted triazole function Structure-activity relationship studies of lipophilic teicoplanin pseudoaglycon derivatives as new anti-influenza virus agents Structure-activity relationship studies of a series of antiviral and antibacterial aglycon derivatives of the glycopeptide antibiotics vancomycin, eremomycin, and dechloroeremomycin Structural modifications of the active site in teicoplanin and related glycopeptides. Hence, we established, by virus yield assays, that compound 6 suppresses the replication of influenza virus and coronavirus, and for the other viruses, activity was indicated by the protection against viral CPE. keywords: activity; antiviral; compound; derivative; influenza; mmol; reaction; table; teicoplanin; virus cache: cord-260014-q5sug7uu.txt plain text: cord-260014-q5sug7uu.txt item: #30 of 70 id: cord-261170-arnwk287 author: Gallimore, W. title: Chapter 18 Marine Metabolites Oceans of Opportunity date: 2017-12-31 words: 7131 flesch: 37 summary: There are several marine compounds sourced from microbes which are of clinical significance. Trends in the discovery of new marine natural products from invertebrates over the last two decades À Where and what are we bioprospecting? keywords: activity; agents; alga; cancer; cell; compounds; cytotoxic; drug; evaluation; marine; metabolites; new; organisms; phase; potential; products; range; species; sponge; trials cache: cord-261170-arnwk287.txt plain text: cord-261170-arnwk287.txt item: #31 of 70 id: cord-261366-mtcalbo5 author: da Rosa Guimarães, Tatiana title: Anti HSV-1 Activity of Halistanol Sulfate and Halistanol Sulfate C Isolated from Brazilian Marine Sponge Petromica citrina (Demospongiae) date: 2013-10-29 words: 4828 flesch: 47 summary: Among these fractions, only fraction Sep-5 showed anti HSV-1 activity and was submitted to NMR analysis. Other natural compounds with anti-herpes activity, such as sulfated polysaccharides [44, 45] , docosanol keywords: activity; anti; antiviral; assay; cells; compounds; fraction; halistanol; hsv-1; marine; sulfate; tsh cache: cord-261366-mtcalbo5.txt plain text: cord-261366-mtcalbo5.txt item: #32 of 70 id: cord-264316-do0px1gq author: Mucha, Artur title: Metallo-aminopeptidase inhibitors date: 2010-05-10 words: 14770 flesch: 36 summary: Modifications of the phosphinate metal binding group in order to increase the number of coordination to the ion present in the active site can represent another approach to improve the potency of aminopeptidases inhibitors. Direct combinations of two heteroaromatic rings represent another approach to developing methionine aminopeptidase inhibitors. keywords: acid; activity; aminopeptidase; apn; bestatin; binding; compounds; derivatives; enzyme; fig; group; human; inhibition; inhibitors; ions; leucine; leucine aminopeptidase; mechanism; metal; metallo; methionine; methionine aminopeptidase; site; structure; synthesis; zinc cache: cord-264316-do0px1gq.txt plain text: cord-264316-do0px1gq.txt item: #33 of 70 id: cord-270123-m8utyd1m author: Enmozhi, Sukanth Kumar title: Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach date: 2020-05-05 words: 3880 flesch: 39 summary: During a search for such potent plant compounds we found a recent study on potential plant compounds which are able to inhibit the M pro is in a process of publication (Khaerunnisa et al., 2020) , while discussing the findings on the paper with group of Siddha and Ayurvedic doctors, they have advised us to examine the properties of the traditional available plant, several plant molecules obtained from medicinal plants were explored. Plant compounds are an ideal of finding drug components of interest and most economical one to produce quickly as possible. keywords: andrographolide; anti; compound; cov-2; drug; hydroxychloroquine; mol; protease; sars cache: cord-270123-m8utyd1m.txt plain text: cord-270123-m8utyd1m.txt item: #34 of 70 id: cord-273372-69rlh9or author: Litterman, Nadia title: Small molecules with antiviral activity against the Ebola virus date: 2015-02-09 words: 3257 flesch: 42 summary: A thorough literature search of PubMed, and CAS SciFinder TM (CAS, Columbus OH) using terms including Ebola identified 55 molecules suggested to have activity against Ebola virus in vitro and/or in vivo (Supplemental Table 1 ). BCX4430 is not only active against Ebola virus, but also targets other members of the Filovirus family as well as 8 other RNA virus families. keywords: activity; chemical; chemistry; compounds; drugs; ebola; molecules; table; virus cache: cord-273372-69rlh9or.txt plain text: cord-273372-69rlh9or.txt item: #35 of 70 id: cord-277802-f8pyn3rx author: Roman, Gheorghe title: Mannich bases in medicinal chemistry and drug design date: 2015-01-07 words: 55399 flesch: 33 summary: Hybrid ligandalkylating agents targeting telomeric G-quadruplex structures Synthesis and biological activities of quinazoline derivatives with ortho-phenol-quaternary ammonium salt groups DNA binding, antiviral activities and cytotoxicity of new furochromone and benzofuran derivatives Synthesis and biological evaluation of 1,3-dihydroxyxanthone Mannich base derivatives as potential antitumor agents Synthesis and in vitro evaluation of novel indole-based sigma receptors ligands Synthesis and cytotoxic activity of novel 3-methyl-1-[(4-substituted-1-piperazinyl)methyl]-1H-indole derivatives Design, synthesis, and biological evaluation of indole-based 1,4-disubstituted piperazines as cytotoxic agents Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt) 3-Aminomethyl derivatives of 4,11-dihydroxynaphtho[2,3-f]indole-5,10-dione for circumvention of anticancer drug resistance Synthesis and structureeactivity relationship studies of Naphtho[2,3-f]indole-5,10-dione aminoalkyl derivatives: a new class of topoisomerase I inhibitors Synthesis of 4-substituted 3-[3-(dialkylaminomethyl)indol-1-yl]maleimides and study of their ability to inhibit protein kinase C-a, prevent development of multiple drug resistance of tumor cells and cytotoxicity Synthesis and SAR of novel 4-morpholinopyrrolopyrimidine derivatives as potent phosphatidylinositol 3-kinase inhibitors Cytotoxic and anticancer activities of isatin and its derivatives: a comprehensive review from Synthesis and in-vitro cytotoxicity evaluation of gatifloxacin Mannich bases Hybrid pharmacophore design and synthesis of isatinebenzothiazole analogs for their anti-breast cancer activity Synthesis of novel isatin-thiazoline and isatin-benzimidazole conjugates as anti-breast cancer agents Design and synthesis of anti-breast cancer agents from 4-piperazinylquinoline: a hybrid pharmacophore approach hydroxyphenyl)-3-substituted-2,3-dihydro-1,3,4-oxadiazole-2-thione derivatives: promising anticancer agents Synthesis of some novel 3,5-disubstituted 1,3,4-oxadiazole derivatives and anticancer activity on EAC animal model Synthesis, quantitative structure-activity relationship and biological evaluation of 1,3,4-oxadiazole derivatives possessing diphenylamine moiety as potential anticancer agents Synthesis, antitumor and antimicrobial activity of novel 1-substituted phenyl-3-[3-alkylamino(methyl)-2-thioxo-1,3,4-oxadiazol-5-yl]-b-carboline derivatives Synthesis and antitumor activity of fluoroquinolone C3-isostere derivatives: oxadiazole Mannich base derivatives Synthesis, characterization and in vitro cytotoxic properties of some new Schiff and Mannich bases in Hep G2 cells Design, synthesis and antitumor activities of fluoroquinolone C-3 heterocycles (IV): s-triazole SchiffeMannich bases derived from ofloxacin Facile synthesis and quantitative structureeactivity relationship study of antitumor active 2-(4-oxo-thiazolidin-2-ylidene)-3-oxo-propionitriles Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones Synthesis, Xray crystallographic analysis, and antitumor activity of N-(benzothiazole-2-yl)-1-(fluorophenyl)-O,O-dialkyl-a-aminophosphonates Synthesis and biological activities of aaminophosphonates derivatives containing thieno[3,2-c]pyridine (in Chinese) Synthesis, antimicrobial and anticancer activities of a novel series of diphenyl 1-(pyridin-3-yl) ethylphosphonates Design and one-pot synthesis of a-aminophosphonates and bis(aaminophosphonates) by iron(III) chloride and cytotoxic activity Synthesis, antiproliferative activity in cancer cells and theoretical studies of novel 6a,7b-dihydroxyvouacapan-17b-oic acid Mannich base derivatives Synthesis and anti-tumor activities of novel Synthesis and cytotoxicity studies of novel Dimethylamino-functionalised and N-heteroaryl-substituted titanocene anticancer drugs: synthesis and cytotoxicity studies Synthesis and cytotoxicity studies of new dimethylamino-functionalised and indolylsubstituted titanocene anti-cancer drugs Synthesis and cytotoxicity studies of new dimethylamino-functionalized and azolesubstituted titanocene anticancer drugs Synthesis and preliminary cytotoxicity studies of achiral indolyl-substituted titanocenes Multidrug resistance reverting activity and antitumor profile of new phenothiazine derivatives Synthesis of antitumoractive betulinic acid-derived hydroxypropargylamines by copper-catalyzed Mannich reactions Cytotoxic betulin-derived hydroxypropargylamines trigger apoptosis Doxoform and Daunoform: anthracyclineformaldehyde conjugates toxic to resistant tumor cells Doxsaliform: a novel N-Mannich base prodrug of a doxorubicin formaldehyde conjugate Design, synthesis, and biological evaluation of doxorubicin-formaldehyde conjugates targeted to breast cancer cells Antiestrogen binding site and estrogen receptor mediate uptake and distribution of 4-hydroxytamoxifen-targeted doxorubicin-formaldehyde conjugate in breast cancer cells Rational design and synthesis of androgen receptortargeted nonsteroidal anti-androgen ligands for the tumor-specific delivery of a doxorubicin-formaldehyde conjugate Studies of targeting and intracellular trafficking of an anti-androgen doxorubicin-formaldehyde conjugate in PC-3 prostate cancer cells bearing androgen receptor-GFP chimera Doxorubicin-formaldehyde conjugates targeting a v b 3 integrin Poly (ethylene glycol) prodrug for anthracyclines via N-Mannich base linker: design, synthesis and biological evaluation Synthesis and invitro antitumor activities of some Mannich bases of 9-alkyl-1,2,3,4-tetrahydrocarbazole-1-ones Synthesis and biological evaluation of novel Mannich bases of 2-arylimidazo [2,1-b]benzothiazoles as potential anti-cancer agents Cytotoxic Mannich bases of 6-(3-aryl-2-propenoyl)-2(3H)-benzoxazolones New synthetic chalcones: cytotoxic Mannich bases of 6-(4-chlorocinnamoyl)-2(3H)-benzoxazolone Synthesis and cytotoxicity of novel hexahydrothieno-cycloheptapyridazinone derivatives Synthesis and antibacterial study of unsaturated Mannich ketones Synthesis and antibacterial activity of fused Mannich ketones Novel Mannich ketones of oxazolidinones as antibacterial agents Synthesis and biological evaluation of a novel series of 2,2-bisaminomethylated aurone analogues as anti-inflammatory and antimicrobial agents Evaluation of antimicrobial activities of several Mannich bases and their derivatives Synthesis and biological evaluation of aminoketones Highly efficient one-pot synthesis, antimicrobial and docking studies of newer b-amino carbonyl derivatives catalyzed by silica sulfuric acid Synthesis of b-amino carbonyl derivatives of coumarin and benzofuran and evaluation of their biological activity Vuki cevi c, Antibacterial 3-(arylamino)-1-ferrocenylpropan-1-ones: synthesis, spectral, electrochemical and structural characterization Synthesis and characterization of some Mannich bases as potential antimicrobial agents Synthesis, characterization and antimicrobial evaluation of copper(II) complexes of 5-tert-butyl-pyrocatechin-derived Mannich bases Synthesis and microbiological evaluation of Mannich bases derived from 4,6-diacetylresorcinol Mannich reaction derivatives of novobiocin with modulated physiochemical properties and their antibacterial activities Novel aminonaphthoquinone Mannich bases derived from lawsone and their copper(II) complexes: synthesis, characterization and antibacterial activity Synthesis, antiinflammatory and antimicrobial activity of some new 1-(3-phenyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethanone derivatives An eco-friendly synthesis and antimicrobial activities of dihydro-2H-benzo-and naphtho-1,3-oxazine derivatives Synthesis and antibacterial evaluation of benzazoles tethered dihydro[1,3]oxazines ]oxazine derivatives catalyzed by zirconyl chloride and evaluation of its biological activities Biocidal activity of some Mannich base cationic derivatives Some electrophilic substitution reactions on 1-substituted-3-acetyl/carbethoxy-5-hydroxy-2-methylindole and the antimicrobial activity of these new indole derivatives Mannich base derivatives of 3-hydroxy-6-methyl-4H-pyran-4-one with antimicrobial activity A study of cytotoxicity of novel chlorokojic acid derivatives with their antimicrobial and antiviral activities Synthesis and biological activities of new Mannich bases of chlorokojic acid derivatives Design, synthesis and in vivo/ in vitro screening of novel chlorokojic acid derivatives Mannich bases of 7-piperazinylquinolones and kojic acid derivatives: synthesis, in vitro antibacterial activity and in silico study Synthesis and antimicrobial screening of novel Mannich bases of isatin derivative Synthesis and antimicrobial evaluation of some novel trisubstituted s-triazine derivatives based on isatinimino, sulphonamido and azacarbazole Synthesis and antimicrobial screening of certain novel Mannich bases bearing 1,8-naphthyridine moiety Synthesis and antimicrobial activities of oxadiazoles, phthalazines and indolinones Synthesis and antimicrobial activity of Mannich bases of isatin and its derivatives with 2-[(2,6-dichlorophenyl) amino]phenylacetic acid Synthesis, antimicrobial screening and beta lactamase inhibitory activity of 3-(3-chloro-4-fluorophenylimino)indolin-2-one and 5-chloroindolin-2-one derivatives, Turk Synthesis, antiviral and antibacterial activities of isatin Mannich bases Synthesis and bioevaluation of Schiff and Mannich bases of isatin derivatives with 4-amino-5-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione Synthesis, characterization and in vitro antimicrobial activity of some novel 5-substituted Schiff and Mannich base of isatin derivatives Synthesis and antimicrobial activity of novel 5-(1-adamantyl)-2-aminomethyl-4-substituted-1,2,4-triazoline-3-thiones Microbiologically active Mannich bases derived from 1,2,4-triazoles. keywords: acid; activities; activity; activity synthesis; addition; agents; amine; aminomethylation; analogues; antibacterial; anticonvulsant; antimycobacterial; binding; cancer; candidates; cell; comparable; compounds; cytotoxic; cytotoxic mannich; cytotoxicity; derivatives; derivatives synthesis; drug; evaluation; fig; good; group; human; inhibition; inhibitors; lines; mannich bases; mannich reaction; mic; mic ¼; moiety; novel; novel mannich; phenolic; position; potent; r ¼; reagents; receptor; reference; reference drug; ring; series; studies; study; synthesis; values; vitro; x ¼; ¼ ch; ¼ cl; ¼ h; ¼ n; ¼ o cache: cord-277802-f8pyn3rx.txt plain text: cord-277802-f8pyn3rx.txt item: #36 of 70 id: cord-283128-9mbi75de author: Singh, Ramendra K. title: Synthesis, antibacterial and antiviral properties of curcumin bioconjugates bearing dipeptide, fatty acids and folic acid date: 2009-12-09 words: 4180 flesch: 53 summary: We have synthesized curcumin bioconjugates 2, 3, 4, 6, 8 and 10, wherein the phenolic hydroxyls and active methylene group on curcumin have been utilized. The antibacterial activities of curcumin bioconjugates, 2, 3, 4, 6 and 8 were compared with that of curcumin. keywords: bioconjugates; compound; curcumin; mmol; reaction; virus cache: cord-283128-9mbi75de.txt plain text: cord-283128-9mbi75de.txt item: #37 of 70 id: cord-283301-adjjkqt2 author: Awolade, Paul title: Therapeutic significance of β-glucuronidase activity and its inhibitors: A review date: 2020-02-01 words: 19135 flesch: 30 summary: Taken together, these results partly suggest that ability to mimic D-glucuronic acid favours bGLU inhibitory activity. at 0.1, 0.2 or 0.3 mg/kg body weight/day, significantly reduced bacterial bGLU activity thereby suppressing 1,2-dimethylhydrazine (DMH)induced colon adenocarcinomas in a dose-dependent manner compared to DMH-controls. keywords: acid; activity; bacterial; bglu; bglu activity; bglu inhibitors; biomarker; cancer; catalytic; coli; compound; derivatives; disease; drug; enzyme; fig; fold; glucuronidase; human; inhibition; inhibitors; patients; periodontal; periodontitis; potency; potential; ring; sal; studies; study; synthesis; unit cache: cord-283301-adjjkqt2.txt plain text: cord-283301-adjjkqt2.txt item: #38 of 70 id: cord-290539-8ak2tths author: Cagno, Valeria title: Novel broad spectrum virucidal molecules against enveloped viruses date: 2018-12-07 words: 5556 flesch: 46 summary: Post treatment: Cells were infected with HSV-2 (MOI 0.01) for 2 h at 37˚C, the viral inoculum was removed and cultures were exposed to different compound concentrations and incubated until control cultures displayed extensive cytopathology. Virolytic antiviral peptides derived from mastoparan were shown to inhibit different enveloped viruses acting on the envelope and causing its detachment from the viral core [14] . keywords: acid; activity; assay; cells; compound; fig; hsv-2; mixture; virus; viruses cache: cord-290539-8ak2tths.txt plain text: cord-290539-8ak2tths.txt item: #39 of 70 id: cord-292380-ulsejzqt author: Iwanejko, Jakub title: Octahydroquinoxalin-2(1H)-One-Based Aminophosphonic Acids and Their Derivatives—Biological Activity towards Cancer Cells date: 2020-05-22 words: 6206 flesch: 49 summary: Two phenolic Mannich bases were found to be comparatively active to cisplatin with a noticeable increase of selectivity against cancer cell lines (one of them shown on the scheme). Our new goal was to synthesize phosphorus analogs of these structures and evaluate their cytotoxicity against cancer cell lines. keywords: acids; activity; aminophosphonates; cancer; cells; compounds; concentration; germany; min; synthesis cache: cord-292380-ulsejzqt.txt plain text: cord-292380-ulsejzqt.txt item: #40 of 70 id: cord-293867-c4wnr5xe author: Gürsoy, Elif title: Design and synthesis of novel Imidazo[2,1-b]thiazole derivatives as potent antiviral and antimycobacterial agents date: 2019-12-06 words: 3030 flesch: 49 summary: The broad antiviral evaluation demonstrated that compound 5d was quite effective against Feline coronavirus in CRFK cells (Table 2) , with an antiviral EC 50 value of 4.8 µg/mL and a superior selectivity index (ratio of cytotoxic to antiviral concentration) higher than 20. The antiviral activity and cytotoxicity of the compounds against Feline corona and Feline herpes viruses were investigated in CRFK cell cultures and in comparison with HHA, UDA and Ganciclovir references, compound 5d was found as highly effective. keywords: activity; antiviral; compounds; derivatives; spirothiazolidinone cache: cord-293867-c4wnr5xe.txt plain text: cord-293867-c4wnr5xe.txt item: #41 of 70 id: cord-296560-ehrww6uu author: Bender, Andreas title: Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR date: 2006-11-07 words: 10160 flesch: 33 summary: Since molecular descriptors and the methods used to analyze the data they represent cannot be separated easily, the second part of this section also covers novel data analysis methods. We will now describe some of the recent developments in the calculation of molecular descriptors. keywords: activity; compounds; data; datasets; descriptors; docking; ligand; methods; model; novel; number; performance; qsar; scoring; screening; selection; set; similarity; structure cache: cord-296560-ehrww6uu.txt plain text: cord-296560-ehrww6uu.txt item: #42 of 70 id: cord-296970-5yc6u5t3 author: Donmez, Ataberk title: iBioProVis: interactive visualization and analysis of compound bioactivity space date: 2020-08-15 words: 2216 flesch: 43 summary: key: cord-296970-5yc6u5t3 authors: Donmez, Ataberk; Rifaioglu, Ahmet Sureyya; Acar, Aybar; Doğan, Tunca; Cetin-Atalay, Rengul; Atalay, Volkan title: iBioProVis: interactive visualization and analysis of compound bioactivity space date: 2020-08-15 journal: Bioinformatics DOI: 10.1093/bioinformatics/btaa496 sha: doc_id: 296970 cord_uid: 5yc6u5t3 SUMMARY: iBioProVis is an interactive tool for visual analysis of the compound bioactivity space in the context of target proteins, drugs and drug candidate compounds. Furthermore, visual analysis of the compound bioactivity space is made possible in several contexts such as target proteins, drugs and drug candidate compounds. keywords: bioactivity; compounds; ibioprovis; proteins; target cache: cord-296970-5yc6u5t3.txt plain text: cord-296970-5yc6u5t3.txt item: #43 of 70 id: cord-300574-nclkfw4h author: Donno, Dario title: Chapter 9 Nutraceuticals in Alternative and Underutilized Fruits as Functional Food Ingredients: Ancient Species for New Health Needs date: 2018-12-31 words: 7918 flesch: 27 summary: Therefore identification is an important step in the collection of wild plants, even if it is often overlooked by the nutraceutical companies: in the European market only 20% of food product plants are collected in germplasm repositories (Fowler, 2006) . biodiversity conservation and utilization on the Cape Verde Islands Comparative analysis of Tunisian wild Crataegus azarolus (yellow azarole) and Crataegus monogyna (red azarole) leaf, fruit, and traditionally derived syrup: phenolic profiles and antioxidant and antimicrobial activities of the aqueous-acetone extracts The impact of chemometrics on food traceability Innovation trends in the food industry: the case of functional foods Preliminary evaluation of nutritional and medicinal components of Crataegus azarolus fruits Traditional crop diversity and its conservation on-farm for sustainable agricultural production in Kumaon Himalaya of Uttaranchal state: a case study Antico germoplasma piemontese di melo: caratterizzazione genetica e proprietà antiossidanti dei frutti Bioactive compounds and sensory quality of black and white mulberries grown in Spain Fitoterapia: Impiego Razionale delle Droghe Vegetali Physicochemical, nutritional and health-related component characterization of the underutilized Mexican serviceberry fruit Malacomeles denticulata LCA application in the fruit sector: state of the art and recommendations for environmental declarations of fruit products Environmental sustainability of traditional foods: the case of ancient apple cultivars in Northern Italy assessed by multifunctional LCA Green extraction of natural products: concept and principles Handbook of Food Chemistry The alternative medicine pawpaw and its acetogenin constituents suppress tumor angiogenesis via the HIF-1/VEGF pathway Phytochemistry and traditional medicine: a revolution in process Chromatographic fingerprinting: an innovative approach for food identitation and food authentication: a tutorial A review on anti-inflammatory activity of monoterpenes Innovative olive-growing models: an environmental and economic assessment Plant food supplements with anti-inflammatory properties: a systematic review (I) Improving the nutritional value of kiwifruit with the application of agroindustry waste extracts Chemical fingerprint as nutraceutical quality differentiation tool in Asimina triloba L. fruit pulp at different ripening stages: an old species for new health needs Goji berry fruit (Lycium spp.): antioxidant compound fingerprint and bioactivity evaluation Application of sensory, nutraceutical and genetic techniques to create a quality profile of ancient apple cultivars Phytochemical fingerprint and chemometrics for natural food preparation pattern recognition: keywords: antioxidant; chemical; composition; compounds; cultivars; diseases; effects; et al; extraction; food; fruits; health; mulberry; nutraceuticals; plant; production; products; quality; species cache: cord-300574-nclkfw4h.txt plain text: cord-300574-nclkfw4h.txt item: #44 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: activities; activity; cancer; cell; compounds; derivatives; drug; group; hydroxyquinoline; inhibition; presence; reaction; results; scheme; standard; synthesis; target; values cache: cord-300872-blycbi4u.txt plain text: cord-300872-blycbi4u.txt item: #45 of 70 id: cord-301349-m4nr3pqx author: Mirza, Muhammad Usman title: Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore‐based virtual screening approach date: 2020-09-02 words: 7397 flesch: 40 summary: All these 43 hits were comparatively docked at CXCR4 receptor to investigate their potential for dual CCR5/CXCR4 antagonists A patent review for the period from Chemokine receptor CCR5: insights into structure, function, and regulation Maraviroc (UK-427,857), a potent, orally bioavailable, and selective smallmolecule inhibitor of chemokine receptor CCR5 with broad-spectrum anti-human immunodeficiency virus type 1 activity The AMD3100 story: the path to the discovery of a stem cell mobilizer (Mozobil) Synthesis and evaluation of transition metal complex dual CXCR4/CCR5 antagonists, National Spring Meeting of the Function, Bioinformatics, HIV-1 ENV gp120 structural determinants for peptide triazole dual receptor site antagonism Dual role of novel ingenol derivatives from Euphorbia tirucalli in HIV replication: inhibition of de novo infection and activation of viral LTR Pyrazolo-piperidines exhibit dual inhibition of CCR5/CXCR4 HIV entry and reverse transcriptase P2X1 receptor antagonists inhibit HIV-1 fusion by blocking virus-coreceptor interactions Penicillixanthone A, a marine-derived dualcoreceptor antagonist as anti-HIV-1 agent Inhibition of HIV-1 replication by a tricyclic coumarin GUT-70 in acutely and chronically infected cells A structure-based drug discovery paradigm The compromise of virtual screening and its impact on drug discovery Perspectives towards antiviral drug discovery against Ebola virus Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library Antiviral Compounds Discovered by Virtual Screening of Small− Molecule Libraries against Dengue Virus E Protein Identification of Zika virus NS2B-NS3 protease inhibitors by Structure-Based Virtual Screening and Drug Repurposing Approaches Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation Structural elucidation of SARS-CoV-2 vital proteins: Computational methods reveal potential drug candidates against main protease, Nsp12 polymerase and Nsp13 helicase Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase OPLS3e: keywords: activity; antagonists; binding; ccr5; compounds; cxcr4; dual; energy; figure; hiv; inhibitors; interactions; ligand; receptor; residues; screening cache: cord-301349-m4nr3pqx.txt plain text: cord-301349-m4nr3pqx.txt item: #46 of 70 id: cord-306934-29ljbl7g author: Tonelli, Michele title: Antiviral and cytotoxic activities of aminoarylazo compounds and aryltriazene derivatives date: 2009-07-01 words: 8578 flesch: 49 summary: Free energy components and total binding free energies for compounds of the series A-C on BVDV RdRp inhibitor molecules may affect the RdRps interactions with the incoming RNA molecule. Compounds VP32947 (3-[(dipropylaminoethyl)thio]-5H-1,2,4-triazino [5,6-b] indole) 24 and BPIP (5- 23 exhibited EC 50 as low as 30-40 nM. Other compounds (as the thiazolylurea DPC-A69280-29, 25 Table 3 Cytotoxicity against MT-4, MDBK, BHK and Vero-76 cell lines and BVDV, YFV, Reo-1, CVB-2, RSV and HSV-1 inhibitory activity of amino azocompounds of structure A-C the benzimidazolone 1453 26 and 7-amino-1,3-dihydroxy-10methyl-6-[4-(2-pyridinyl)-1-piperazinyl]-9(10H)acridone 27 ) have EC 50 in the range 0.6-1.5 lM, that are comparable with those of the presently described aminoaryl azocompounds 1 and 7 (1.6 and 2.5 lM, respectively). keywords: activity; binding; bvdv; cell; compounds; derivatives; energy; hcv; protein; rdrp; rna; rsv; triazene; viruses cache: cord-306934-29ljbl7g.txt plain text: cord-306934-29ljbl7g.txt item: #47 of 70 id: cord-309052-3h0g7s9v author: Alam, Fiaz title: Psoralea corylifolia L: Ethnobotanical, biological, and chemical aspects: A review date: 2017-12-15 words: 9688 flesch: 36 summary: Missouri Botanical Garden and University of Inhibition behavior of fructus psoraleae's ingredients towards human carboxylesterase 1 (hCES1) DNA polymerase and topoisomerase II inhibitors from Psoralea c orylifolia Gonadal toxicity of an ethanol extract of Psoralea corylifolia in a rat 90-day repeated dose study Psoralen stimulates osteoblast differentiation through activation of BMP signaling Review article: Herbal hepatotoxicity-an update on traditional Chinese medicine preparations New constituents from Psoralea corylifolia Histone deacetylase inhibitor sodium butyrate enhances the cell killing effect of psoralen plus UVA by attenuating nucleotide excision repair Psoralea corylifolia extract ameliorates experimental osteoporosis in ovariectomized rats Screening south Indian medicinal plants for antifungal activity against cutaneous pathogens Osteoblastic proliferation stimulating activity of Psoralea corylifolia extracts and two of its flavonoids Chemical constituents from Psoralea corylifolia and their antioxidant alphaglucosidase inhibitory and antimicrobial activities. The low polarity ether extract of P. corylifolia seeds was investigated, and it revealed the presence of various ketones and aldehydes containing compounds such as Corylinal, C-formylated chalcone, and Isoneobayachalcone. keywords: activity; anti; antibacterial; anticancer; antioxidant; bakuchiol; cells; compounds; corylifolia; dose; effects; et al; extract; flavonoid; fruit; human; inhibition; medicinal; plant; psoralea corylifolia; psoralen; psoralidin; seeds; study; vitro cache: cord-309052-3h0g7s9v.txt plain text: cord-309052-3h0g7s9v.txt item: #48 of 70 id: cord-315193-z6v6s46n author: Adhikari, Nilanjan title: Structural Insight Into the Viral 3C-Like Protease Inhibitors: Comparative SAR/QSAR Approaches date: 2017-07-14 words: 9980 flesch: 52 summary: Three noncanonical M pro cleavage sites are observed in SARS coronavirus polyproteins having Val, Met, or Phe amino acid residues at P2 position whereas the same cleavage site is found dissimilar in other coronaviruses. Short hairpin RNA (shRNA) may be useful to target the N gene sequence of SARS coronavirus and to inhibit shRNA of SARS-CoV antigen expression (Tao et al., 2005; Zhai et al., 2007) . keywords: 3cl; activity; compounds; cov; et al; inhibitors; model; pro; protease; qsar; sars; table cache: cord-315193-z6v6s46n.txt plain text: cord-315193-z6v6s46n.txt item: #49 of 70 id: cord-317628-1inxq7t5 author: Cuccarese, Michael F. title: Functional immune mapping with deep-learning enabled phenomics applied to immunomodulatory and COVID-19 drug discovery date: 2020-08-14 words: 9597 flesch: 35 summary: However, the immune system is vastly complex and dependent on cell type and context; reliably intervening in such a highly interdependent process is a formidable drug discovery challenge. Taken together these findings suggest that SARS-CoV-2 entry protease inhibitor activity varies across cell type and species; however, remdesivir and GS-441524 show strong rescue of the viral phenoprint in all cell types tested. keywords: cells; compounds; covid-19; cytokine; data; disease; dose; fig; image; immune; infection; inhibitors; perturbation; phenoprint; response; sars; screening; stimuli; storm; tgf; tnf; type cache: cord-317628-1inxq7t5.txt plain text: cord-317628-1inxq7t5.txt item: #50 of 70 id: cord-318854-xaus3bma author: Sun, Yi title: Chapter 4 Bioactivity and Synthesis of Diarylheptanoids From Alpinia officinarum date: 2016-12-31 words: 5371 flesch: 48 summary: [61, 62] examined the antiinfluenza virus activity and cytotoxicity of 10 diarylheptanoids (2, 4, 6, 21, 24, 30, 32, 35, 36, and 49) isolated from A. officinarum by plaque reduction assay and MTT assay, respectively, using Madin-Darby canine kidney (MDCK) cells (Table 4 .4). Thus, hydroxylation at the C-4 position of the phenyl moiety may be important for antiinfluenza virus activity in vitro. keywords: activities; activity; cells; compounds; diarylheptanoids; fig; group; officinarum; virus cache: cord-318854-xaus3bma.txt plain text: cord-318854-xaus3bma.txt item: #51 of 70 id: cord-320591-re99v1qt author: Le, Thanh Ninh title: Bioactive Compounds and Bioactivities of Brassica oleracea L. var. Italica Sprouts and Microgreens: An Updated Overview from a Nutraceutical Perspective date: 2020-07-27 words: 8198 flesch: 30 summary: Agriculture (Polnohospodárstvo) Response surface optimization and identification of isothiocyanates produced from broccoli sprouts Free radical scavenging, antiproliferative activities and profiling of variations in the level of phytochemicals in different parts of broccoli (Brassica oleracea italica) Absorption and chemopreventive targets of sulforaphane in humans following consumption of broccoli sprouts or a myrosinase-treated broccoli sprout extract Optimisation of enzymatic production of sulforaphane in broccoli sprouts and their total antioxidant activity at different growth and storage days Comparative Study of Predominant Phytochemical Compounds and Proapoptotic Potential of Broccoli Sprouts and Florets Selenium enrichment of broccoli sprout extract increases chemosensitivity and apoptosis of LNCaP prostate cancer cells Effect of broccoli sprouts on thyroid function, haematological, biochemical, and immunological parameters in rats with thyroid imbalance Antiproliferative Effect of Bioaccessible Fractions of Four Brassicaceae Microgreens on Human Colon Cancer Cells Linked to Their Phytochemical Composition Sorting out the value of cruciferous sprouts as sources of bioactive compounds for nutrition and health Phenolic acids: Natural versatile molecules with promising therapeutic applications Effect of bioaccessibility of phenolic compounds on in vitro anticancer activity of broccoli sprouts Influence of Sodium and Maturity Stage on the Antioxidant Properties of Cauliflower and Broccoli Sprouts Phenolic profile and antioxidant activity in selected seeds and sprouts Energy Regulated Nutritive and Antioxidant Properties during the Germination and Sprouting of Broccoli Sprouts (Brassica oleracea var. It could be summarized that glucosinolates and related compounds are the major group of phytochemicals investigated in broccoli sprouts and microgreens, although phenolic compounds have also been analyzed in many studies ( Figure 2 ). keywords: activity; antioxidant; broccoli; broccoli sprouts; cancer; cells; compounds; effects; food; glss; glucosinolates; health; microgreens; seedlings; sprouts; studies; sulforaphane; vivo cache: cord-320591-re99v1qt.txt plain text: cord-320591-re99v1qt.txt item: #52 of 70 id: cord-323093-u3ozc9ry author: Rathnayake, Athri D. title: 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV–infected mice date: 2020-08-19 words: 7178 flesch: 48 summary: In the presence of compound concentrations that were about two-to threefold higher than the EC 50 values obtained in Vero E6 cells (2 M, 6j or 0.5 M, 6e), viral titers were reduced to 10 6.4 (donor 1), 10 6.1 (donor 2), and 10 6.3 (donor 3) PFU/ml for compound 6j or 10 6.1 (donor 1), 10 6.5 (donor 2), and 10 8.1 (donor 3) PFU/ml for compound 6e (Table 3) . Compounds 6j and 6h share a near-identical structure except for the extra methylene group present in compound 6j. keywords: 3clpro; cells; compound; coronavirus; cov; cov-2; dpi; fig; inhibitors; mers; mice; protease; sars; table cache: cord-323093-u3ozc9ry.txt plain text: cord-323093-u3ozc9ry.txt item: #53 of 70 id: cord-323479-vlgv3nwq author: Speranza, Jasmine title: Isatis tinctoria L. (Woad): A Review of Its Botany, Ethnobotanical Uses, Phytochemistry, Biological Activities, and Biotechnological Studies date: 2020-03-01 words: 14442 flesch: 39 summary: Interestingly, the treatment over two weeks with a high dose of I. tinctoria extract did not determine macroscopic lesions of the rat gastric mucosa. The observed effect was related to the reduced production of the typical mediators of the Th2 immune response IL-4, IL-5, and RANTES (Regulated on Activation Normal T cell Expressed and Secreted) highlighted after treatment with I. tinctoria extract. keywords: acid; activity; analysis; cell; compounds; cultures; extracts; i. tinctoria; indigo; indirubin; isatan; isatis; isatis tinctoria; leaf; leaves; phenolic; plant; production; properties; root; rosette; studies; study; tryptanthrin cache: cord-323479-vlgv3nwq.txt plain text: cord-323479-vlgv3nwq.txt item: #54 of 70 id: cord-326922-bajpr5a2 author: Watson, C. James title: Pharmaceutical Compounding: a History, Regulatory Overview, and Systematic Review of Compounding Errors date: 2020-11-02 words: 7103 flesch: 32 summary: Supplemental Outsourced compounding can be problematic Meningitis outbreak reveals gaps in US drug regulation Regulating compounding pharmacies after NECC How gaps in regulation of compounding pharmacy set the stage for a multistate fungal meningitis outbreak Fungal infections associated with contaminated methylprednisolone in Tennessee Fungal infections associated with contaminated methylprednisolone injections Human drug compounding. Despite Congress's attempt to strengthen oversight of compounding pharmacies, litigation challenging FDAMA tempered the FDA's authority to regulate compounders. keywords: administration; compounding; contamination; drug; errors; facilities; fda; food; medications; outbreak; outsourcing; patients; pharmacies; pharmacy; states; united cache: cord-326922-bajpr5a2.txt plain text: cord-326922-bajpr5a2.txt item: #55 of 70 id: cord-327946-mqakaisa author: Massari, Serena title: Synthesis and Characterization of 1,2,4-Triazolo[1,5-a]pyrimidine-2-carboxamide-based Compounds Targeting the PA-PB1 Interface of Influenza A Virus Polymerase date: 2020-10-16 words: 3544 flesch: 35 summary: Chemical/physical properties were investigated for a couple of compounds suggesting that the low solubility of compound 14, due to a strong crystal lattice, may have impaired its antiviral activity. No anti-PA-PB1 activity was shown by cycloheptathiophene compound 10 and benzothiophene compound 11, the strict analogs of compounds 3 and 9, respectively, although the latter showed All the compounds were non-toxic up to 250 μM concentration, with the exception of derivatives 10 and 18, which, however, showed a mild cytotoxic effect (CC 50 = 90 and 101 μM, respectively). keywords: carboxamide; compounds; influenza; interaction; pb1; polymerase; protein; virus cache: cord-327946-mqakaisa.txt plain text: cord-327946-mqakaisa.txt item: #56 of 70 id: cord-328176-fck2ktxi author: Mahapatra, Manojkumar title: Methyl-2-arylidene hydrazinecarbodithioates: synthesis and biological activity date: 2013-02-19 words: 2429 flesch: 36 summary: Compound IIc and IIl show antiviral activity against wild-type herpes simplex virus (HSV), varicella zoster virus (VZV), and acyclovirresistant HSV; however, these activities were observed at concentrations at which the compounds also markedly inhibit HL60 and HEL cell proliferation. With this background, twelve MAHCD derivatives were synthesised and evaluated for anticancer activity against HL60 human promyelocytic leukemia cells and antiviral activity against a panel of viral cell lines. keywords: activity; cells; compounds; iil; virus cache: cord-328176-fck2ktxi.txt plain text: cord-328176-fck2ktxi.txt item: #57 of 70 id: cord-328834-yetnlb2j author: Mohsin, Noor ul Amin title: Current Strategies in Development of New Chromone Derivatives with Diversified Pharmacological Activities: A Review date: 2020-06-15 words: 5738 flesch: 52 summary: Later on, Ceylan-unlusoy, et al. synthesized chromone derivatives having imidazolidindione, 2,4-thiazolidindione and 2-thioxoimidazolidine-4-one heterocyclic cores. Ali, et al. synthesized chromone annulated phosphorous heterocycles as anticancer agents. keywords: activity; chromone; compound; derivatives; group cache: cord-328834-yetnlb2j.txt plain text: cord-328834-yetnlb2j.txt item: #58 of 70 id: cord-328962-1c4vqaqr author: Benítez-Cardoza, Claudia Guadalupe title: Potential inhibitors of the interaction between ACE2 and SARS-CoV-2 (RBD), to develop a drug date: 2020-06-15 words: 3350 flesch: 42 summary: Examples of potential conflicts of interest include employment, consultancies, stock ownership, honoraria, paid expert testimony, patent applications/registrations, and grants or other funding. SARS and MERS: recent insights into emerging coronaviruses Clinical Characteristics of Coronavirus Disease 2019 in China Molecular Investigation of SARS-CoV-2 Proteins and Their Interactions with Antiviral Drugs Pharmacological Therapeutics Targeting RNA-Dependent RNA Polymerase, Proteinase and Spike Protein: From Mechanistic Studies to Clinical Trials for COVID-19 Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion Identification of critical determinants on ACE2 for SARS-CoV entry and development of a potent entry inhibitor Structure of SARS coronavirus spike receptor-binding domain complexed with receptor Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2, Science (80-. ). We made the choice of compounds based on the average of the score from up to 20 conformers per compound and better probability to be safe in humans. keywords: ace2; compounds; cov-2; development; interaction; protein; sars; table cache: cord-328962-1c4vqaqr.txt plain text: cord-328962-1c4vqaqr.txt item: #59 of 70 id: cord-329078-gnnis7pl author: Musella, Simona title: Identification of an indol-based derivative as potent and selective varicella zoster virus (VZV) inhibitor date: 2016-11-29 words: 3963 flesch: 40 summary: The compounds were evaluated against different herpes viruses, including varicella-zoster virus (VZV) strains Oka and YS, TK À VZV strains 07-1 and YS-R, herpes simplex virus type 1 (HSV-1) strain KOS, thymidine kinase-deficient (TK À ) Finally, a series of 4-benzyloxy-g-sultone derivatives has been also reported as non-selective VZV inhibitors with unknown mechanism of action [28] . keywords: activity; compounds; derivatives; herpes; varicella; virus; vzv; yield; zoster cache: cord-329078-gnnis7pl.txt plain text: cord-329078-gnnis7pl.txt item: #60 of 70 id: cord-330465-16j5vm7h author: Marciniec, Krzysztof title: Phosphate Derivatives of 3-Carboxyacylbetulin: SynThesis, In Vitro Anti-HIV and Molecular Docking Study date: 2020-08-05 words: 6962 flesch: 44 summary: Pentacyclic triterpenes and their semi-synthetic derivatives are a large group of compounds known to demonstrate biological activity, including antitumor, antiviral, antimalarial, Melting points of obtained compounds were measured in open capillary tubes on an Electrothermal melting point apparatus without correction. The experiments were carried out in media containing tested compounds in concentrations of the appropriate range. keywords: acid; activity; betulin; bvm; compounds; cov-2; derivatives; docking; figure; hiv; phosphate; protein; results; sars; table cache: cord-330465-16j5vm7h.txt plain text: cord-330465-16j5vm7h.txt item: #61 of 70 id: cord-330994-6nu7utu1 author: Abdelrheem, Doaa A. title: The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation date: 2020-10-01 words: 5323 flesch: 39 summary: TPSA of studied compounds was noticed in the range of 25.87-153.50 Å and is well below the limit of 160 Å. It can be predicted that all studied bioactive compounds obeyed Lipinski's rule of five and are likely to be orally active except compounds 5 and 9 as shown in Table 6 . Rat Acute Toxicity LD50 of all studied compounds was found between 1.95 and 2.75 mol/kg. keywords: 6lu7; caulerpin; complex; compounds; cov-2; covid-19; docking; molecular; protease; protein; sars; simulation; study cache: cord-330994-6nu7utu1.txt plain text: cord-330994-6nu7utu1.txt item: #62 of 70 id: cord-333675-vkk2frnf author: Hamada, Manabu title: Synthesis and broad spectrum antiviral evaluation of bis(POM) prodrugs of novel acyclic nucleosides date: 2013-07-04 words: 4353 flesch: 49 summary: In our search for antiviral compounds, we synthesized a new class of acyclic nucleoside phosphonates based on a 4-phosphono-but-2-en-1-yl base motif in which the oxygen heteroatom has been replaced with a double bond having trans stereochemistry [8] . From these data, it appears that small chemical alterations in the acyclic side-chain lead to marked differences in antiviral activity and the spectrum of activity of acyclic nucleoside phosphonates against various classes of viral agents keywords: activity; antiviral; boc; compounds; cytosine; equiv; mmol cache: cord-333675-vkk2frnf.txt plain text: cord-333675-vkk2frnf.txt item: #63 of 70 id: cord-336759-cu1uprwm author: Cihan-Üstündağ, Gökçe title: Design, synthesis, antitubercular and antiviral properties of new spirocyclic indole derivatives date: 2019-07-17 words: 3030 flesch: 50 summary: Furthermore, several spirothiazolidinone compounds synthesized in our laboratory were found to be efficient inhibitors of membrane fusion mediated by influenza virus hemagglutinin (HA) The most potent effect was seen with compound 5d that is methylated at positions 2 and 8 of the spirothiazolidinone system. keywords: activity; antitubercular; antiviral; compounds; concentration; tuberculosis; virus cache: cord-336759-cu1uprwm.txt plain text: cord-336759-cu1uprwm.txt item: #64 of 70 id: cord-338436-0z828org author: Tzou, Philip L. title: Coronavirus Antiviral Research Database (CoV-RDB): An Online Database Designed to Facilitate Comparisons between Candidate Anti-Coronavirus Compounds date: 2020-09-09 words: 8207 flesch: 38 summary: Implications for disease pathogenesis and clinical manifestation Regulation of the Interferon System: Evidence that Vero Cells have a Genetic Defect in Interferon Production Enhanced isolation of SARS-CoV-2 by TMPRSS2-expressing cells Morphological Cell Profiling of SARS-CoV-2 Infection Identifies Drug Repurposing Candidates for COVID-19 Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection Comparative analysis of antiviral efficacy of FDA-approved drugs against SARS-CoV-2 in human lung cells: Nafamostat is the most potent antiviral drug candidate Characterization and treatment of SARS-CoV-2 in nasal and bronchial human airway epithelia Replication of SARS-CoV-2 in human respiratory epithelium Replication of SARS coronavirus administered into the respiratory tract of African Green, rhesus and cynomolgus monkeys Pneumonitis and Multi-Organ System Disease in Common Marmosets (Callithrix jacchus) Infected with the Severe Acute Respiratory Syndrome-Associated Coronavirus Animal models for SARS Animal models for SARS and MERS coronaviruses Treatment with interferon-α2b and ribavirin improves outcome in MERS-CoV-infected rhesus macaques Cynomolgus macaque as an animal model for severe acute respiratory syndrome Respiratory disease in rhesus macaques inoculated with SARS-CoV-2 Comparative pathogenesis of COVID-19, MERS, and SARS in a nonhuman primate model Rapid isolation of potent SARS-CoV-2 neutralizing antibodies and protection in a small animal model Susceptibility of ferrets, cats, dogs, and other domesticated animals to SARS-coronavirus 2 Antiviral Efficacies of FDA-Approved Drugs against SARS-CoV-2 Infection in Ferrets Infection and Rapid Transmission of SARS-CoV-2 in Ferrets Pathogenesis and transmission of SARS-CoV-2 in golden hamsters The pathogenicity of SARS-CoV-2 in hACE2 transgenic mice Pathogenesis of SARS-CoV-2 in Transgenic Mice Expressing Human Angiotensin-Converting Enzyme 2 COVID-19 preclinical models: Human angiotensin-converting enzyme 2 transgenic mice Infection with novel coronavirus (SARS-CoV-2) causes pneumonia in Rhesus macaques Syrian hamsters as a small animal model for SARS-CoV-2 infection and countermeasure development Passive immunotherapy with dromedary immune serum in an experimental animal model for Middle East respiratory syndrome coronavirus infection Protective Effect of Intranasal Regimens Containing Peptidic Middle East Respiratory Syndrome Coronavirus Fusion Inhibitor Against MERS-CoV Infection Treatment With Lopinavir/Ritonavir or Interferon-β1b Improves Outcome of MERS-CoV Infection in a Nonhuman Primate Model of Common Marmoset Type I and Type III Interferons-Induction, Signaling, Evasion, and Application to Combat COVID-19 SARS-CoV-2 sensitive to type I interferon pretreatment Coronavirus membrane fusion mechanism offers a potential target for antiviral development Coronaviruses -drug discovery and therapeutic options The Anticoagulant Nafamostat Potently Inhibits SARS-CoV-2 S Protein-Mediated Fusion in a Cell Fusion Assay System and Viral Infection In Vitro in a Cell-Type-Dependent Manner. β-D-N4hydroxycytidine-5′isopropyl ester (EIDD-2801) EIDD-2801 is a nucleoside analog, which like remdesivir has high nanomolar inhibitory activity in vitro against SARS-CoV-2 [62] . keywords: activity; animal; antibodies; antiviral; cell; compounds; coronavirus; cov-2; covid-19; data; drug; experiments; human; sars; trials; virus cache: cord-338436-0z828org.txt plain text: cord-338436-0z828org.txt item: #65 of 70 id: cord-340331-51yq1rdo author: Tonelli, Michele title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus date: 2017-07-28 words: 6256 flesch: 35 summary: key: cord-340331-51yq1rdo authors: Tonelli, Michele; Naesens, Lieve; Gazzarrini, Sabrina; Santucci, Matteo; Cichero, Elena; Tasso, Bruno; Moroni, Anna; Costi, Maria Paola; Loddo, Roberta title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus date: 2017-07-28 journal: Eur J Med Chem DOI: 10.1016/j.ejmech.2017.04.070 sha: doc_id: 340331 cord_uid: 51yq1rdo We have identified a series of 1-aryl-4,6-diamino-1,2-dihydrotriazines, structurally related to the antimalarial drug cycloguanil, as new inhibitors of influenza A and B virus and respiratory syncytial virus (RSV) via targeting of the host dihydrofolate reductase (DHFR) enzyme. This strategy is prone to selecting drug-resistance, particularly for viruses, which possess high mutability (such as influenza virus) or require long-term therapy. keywords: activity; antiviral; compounds; cycloguanil; dhfr; host; human; influenza; inhibition; inhibitors; rsv; virus; viruses cache: cord-340331-51yq1rdo.txt plain text: cord-340331-51yq1rdo.txt item: #66 of 70 id: cord-340832-412qre64 author: Liang, Pi‐Hui title: Novel Five‐Membered Iminocyclitol Derivatives as Selective and Potent Glycosidase Inhibitors: New Structures for Antivirals and Osteoarthritis date: 2006-01-05 words: 3856 flesch: 49 summary: Solis & Wets' local search method with LGA was applied to generate available conformations of compound structures within the active site. This study also showed that potent inhibitors of b-hexosaminidase can be found from derivatives of 4, though relatively weaker inhibitors of b-glucosidase were observed. keywords: assay; cells; compound; glucosidase; hexosaminidase; inhibition; inhibitors cache: cord-340832-412qre64.txt plain text: cord-340832-412qre64.txt item: #67 of 70 id: cord-344598-5drr3fyt author: Khanna, Leena title: Spiro‐Indole‐Coumarin Hybrids: Synthesis, ADME, DFT, NBO Studies and In Silico Screening through Molecular Docking on DNA G‐Quadruplex date: 2020-03-19 words: 3943 flesch: 50 summary: In silico or virtual screening through molecular docking studies on the library of 22 compounds, including reference compounds, precursors, non‐hybrid and hybrid derivatives, was performed on DNA G‐quadruplex of the human genome. Thus, in the present study, the biological importance of 22 compounds including six new spiro indole-coumarin hybrids as DNA quadruplex groove binders has been evaluated by performing molecular docking studies on DNA G-quadruplexes of the human genome. keywords: compounds; coumarin; figure; hybrids; nbo; spectrum; table cache: cord-344598-5drr3fyt.txt plain text: cord-344598-5drr3fyt.txt item: #68 of 70 id: cord-345750-dk1exw9l author: Kulikov, A. S. title: Synthesis and antineoplastic properties of (1H-1,2,3-triazol-1-yl)furazans date: 2014-01-07 words: 2286 flesch: 57 summary: Pyrrolyl derivatives of triazolylfurazans were determined as antiproliferative compounds. 9-15 Synthesis of these compounds involved 1,3 dipolar cycloaddition of azidofurazans 2 to various dipolarophiles, e.g., acetylenes, morpholinonitroethylene, or compounds with the activated methylene group, e.g., activated nitriles and 1,3 dicarbonyl compounds. keywords: compounds; pyrrole; ring; synthesis; triazole cache: cord-345750-dk1exw9l.txt plain text: cord-345750-dk1exw9l.txt item: #69 of 70 id: cord-347547-makm0j09 author: Duran-Frigola, Miquel title: Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs date: 2020-07-16 words: 1945 flesch: 42 summary: key: cord-347547-makm0j09 authors: Duran-Frigola, Miquel; Bertoni, Martino; Blanco, Roi; Martínez, Víctor; Pauls, Eduardo; Alcalde, Víctor; Turon, Gemma; Villegas, Núria; Fernández-Torras, Adrià; Pons, Carles; Mateo, Lídia; Guitart-Pla, Oriol; Badia-i-Mompel, Pau; Gimeno, Aleix; Soler, Nicolas; Brun-Heath, Isabelle; Zaragoza, Hugo; Aloy, Patrick title: Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs date: 2020-07-16 journal: J Chem Inf Model DOI: 10.1021/acs.jcim.0c00420 sha: doc_id: 347547 cord_uid: makm0j09 [Image: see text] Our web-based resource is updated daily and can be used to dynamically search for candidates related to COVID-19 drugs with varying levels of evidence and MoA. keywords: compounds; covid-19; drugs; evidence; molecules cache: cord-347547-makm0j09.txt plain text: cord-347547-makm0j09.txt item: #70 of 70 id: cord-352844-wggg3ynb author: Annunziata, Francesca title: An Overview of Coumarin as a Versatile and Readily Accessible Scaffold with Broad-Ranging Biological Activities date: 2020-06-29 words: 51219 flesch: 38 summary: The resulting effect was expected to be a higher maximum collapse temperature and a faster synthesis of coumarin compounds by Knoevenagel reaction. The resulting effect was expected to be a higher maximum collapse temperature and a faster synthesis of coumarin compounds by Knoevenagel reaction. keywords: acid; activities; activity; antibacterial; antifungal; antioxidant activity; cancer; catalyst; cells; collaborators; complexes; compounds; coumarin; coumarin compounds; coumarin derivatives; detection; drug; effect; figure; fluorescent; group; human; ic50; inhibition; inhibitors; ions; novel; order; potential; probe; properties; reaction; reference; results; series; solvent; studies; synthesis; triazole; values; vitro; workers cache: cord-352844-wggg3ynb.txt plain text: cord-352844-wggg3ynb.txt