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المؤلفون: Xian-En Zhao, Liyan Yang, Zhonglei Wang
المصدر: Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 4684-4701 (2021)
Computational and Structural Biotechnology Journalمصطلحات موضوعية: IC50, half maximal inhibitory concentration, Review, Biochemistry, SI, selectivity index, Structural Biology, cryo-EM, cryo-electron microscopy, media_common, COVID-19, coronavirus disease 2019, MMPBSA, molecular mechanics Poisson-Boltzmann surface area, MTase, methyltransferase, Natural products, PLpro, papain-like protease, Drug discovery, Chemistry, DyKAT, dynamic kinetic asymmetric transformation, MERS-CoV, Middle East respiratory syndrome coronavirus, SAM, S-adenosylmethionine, Ligand (biochemistry), MD, molecular dynamics, Computer Science Applications, EC50, half maximal effective concentration, EBOV, Ebola virus, HCoV-229E, human coronavirus 229E, Biotechnology, Drug, 2019-20 coronavirus outbreak, 3CLpro, 3C-Like protease, FDA-approved drugs, Coronavirus disease 2019 (COVID-19), media_common.quotation_subject, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Highly pathogenic, SARS-CoV, severe acute respiratory syndrome coronavirus, Biophysics, Ugi-4CR, Ugi four-component reaction, Computational biology, ACE2, angiotensin-converting enzyme 2, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, EMD, Electron Microscopy Data, PDB, Protein Data Bank, Co-crystal structures, Genetics, RdRp, RNA-dependent RNA polymerase, Nsp, nonstructural protein, ComputingMethodologies_COMPUTERGRAPHICS, Candidate drugs, RTP, ribonucleoside triphosphate, SARS-CoV-2, FDA, U.S. Food and Drug Administration, Mpro, main protease, HPLC, high-performance liquid chromatography, TP248.13-248.65
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المؤلفون: Izabela Virginia Staffen, Fernanda Weyand Banhuk, Edson Antonio da Silva, Patricia Karoline Matos, Rafael Andrade Menolli, Tereza Cristina Marinho Jorge, Aline Griebler, Ivânia T.A. Schuquel, Maria Helena Sarragiotto, Aline Antunes Maciel Bortoluzzi, Thais Soprani Ayala
المصدر: Saudi Journal of Biological Sciences
Saudi Journal of Biological Sciences, Vol 28, Iss 1, Pp 99-108 (2021)مصطلحات موضوعية: 0106 biological sciences, 0301 basic medicine, DC, DMSO Control, Chagas disease, 01 natural sciences, CC, column chromatography, Lonchocarpus, LC-4 and 5, fractions obtained from LCD extract, chemistry.chemical_compound, MTT, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide, Chalcones, UC, Untreated Control, LC50, Lethal Concentration 50%, LCD, Extract from L. cultratus obtained by extraction with dichloromethane, RPMI, Roswell Park Memorial Institute, lcsh:QH301-705.5, CDCl3, Deuterate chloroform, Lafepe, Pharmaceutical Laboratory of Pernambuco State, ANOVA, Analysis of Variance, LIT, Liver Infusion Tryptose, Traditional medicine, biology, CO2, Carbon dioxide, Plant extract, Benznidazole, Original Article, General Agricultural and Biological Sciences, DMSO, Dimethyl Sulfoxide, medicine.drug, TLC, Thin Layer column, Chemical structure, NMR, Nuclear Magnetic Resonance, SI, Selectivity Index, LC-1, 2 and 3: Fractions obtained from LCH extract, 03 medical and health sciences, IC50, Inhibitory Concentration 50%, Trypanosomiasis, PBS, Phosphate-Buffered Saline, medicine, Amastigote, Trypanosoma cruzi, IC50, LCH, Extract from L. cultratus obtained by extraction with hexane, Dichloromethane, TMS, Tetramethylsilane, BZN, Benznidazole, CC50, Cytotoxic Concentration 50%, UEM, State University of Maringa/PR, medicine.disease, biology.organism_classification, NO, Nitric Oxide, 030104 developmental biology, lcsh:Biology (General), chemistry, LCM, Extract from L. cultratus obtained by extraction with methanol, 010606 plant biology & botany, FBS, Fetal Bovine Serum
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المؤلفون: Christophe Pannecouque, Erik De Clercq, Chunlin Zhuang, Fen-Er Chen
المصدر: Acta Pharmaceutica Sinica. B
Acta Pharmaceutica Sinica B, Vol 10, Iss 6, Pp 961-978 (2020)مصطلحات موضوعية: NNIBP, NNRTI binding pocket, Human immunodeficiency virus (HIV), Review, medicine.disease_cause, SI, selectivity index, DAPYs, Nucleoside Reverse Transcriptase Inhibitor, Molecular hybridization, NRTI, nucleoside reverse transcriptase inhibitor, RPV, rilpivirine, Structure-based optimization, 0302 clinical medicine, NNRTI, non-nucleoside reverse transcriptase inhibitor, EFV, efavirenz, PROTAC, proteolysis targeting chimera, S-DABOs, HEPT, 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine, DLV, delavirdine, General Pharmacology, Toxicology and Pharmaceutics, Hiv treatment, Bioisosterism, 0303 health sciences, NVP, nevirapine, virus diseases, HIV, human immunodeficiency virus, UNAIDS, the Joint United Nations Programme on HIV/AIDS, DOR, doravirine, 030220 oncology & carcinogenesis, RT, reverse transcriptase, Fragment-based drug design, SFC, supercritical fluid chromatography, Infectious agent, ETR, etravirine, HENT, napthyl-HEPT, Biology, PI, protease inhibitor, PK, pharmacokinetic, S-DABO, thio-dihydro-alkoxy-benzyl-oxopyrimidine, 03 medical and health sciences, INSTI, integrase inhibitor, Acquired immunodeficiency syndrome (AIDS), ECD, electronic circular dichroism, SAR, structure–activity relationship, medicine, SBDD, structure-based drug design, DABOs, 030304 developmental biology, HENTs, lcsh:RM1-950, DAPY, diarylpyrimidine, DATAs, HAART, highly active antiretroviral therapy, medicine.disease, Virology, AIDS, acquired immunodeficiency syndrome, ee, enantiomeric excess, Reverse transcriptase, DATA, diaryltriazine, FDA, U.S. Food and Drug Administration, lcsh:Therapeutics. Pharmacology, HIV-1, NNRTIs
وصف الملف: Print-Electronic
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المؤلفون: Chunlin Zhuang, Fen-Er Chen, Ge Meng, KaiJun Jin, Erik De Clercq, Christophe Pannecouque, Minjie Liu
المصدر: Acta Pharmaceutica Sinica B, Vol 10, Iss 2, Pp 344-357 (2020)
Acta Pharmaceutica Sinica. Bمصطلحات موضوعية: Molecular model, Mutant, MD, molecular dynamic, BP-DATA, biphenyl-substituted diaryltriazine, SI, selectivity index, RPV, rilpivirine, chemistry.chemical_compound, 0302 clinical medicine, NNRTI, non-nucleoside reverse transcriptase inhibitor, EFV, efavirenz, Side chain, HEPT, 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine, General Pharmacology, Toxicology and Pharmaceutics, chemistry.chemical_classification, 0303 health sciences, NP-DATAs, NVP, nevirapine, NNIBP, non-nucleoside inhibitor binding pocket, HIV, human immunodeficiency virus, NP-DATA, naphthyl diaryltriazine, 030220 oncology & carcinogenesis, RT, reverse transcriptase, Lead compound, Original article, Stereochemistry, ETR, etravirine, Molecular modeling, RMSD, root-mean square deviation, BP-DATAs, 03 medical and health sciences, EC50, the concentration causing 50% inhibition of antiviral activity, SAR, structure–activity relationship, Potency, TSAO, tert-butyldimethylsilyl-spiroaminooxathioledioxide, Positional adaptability, 030304 developmental biology, DAPY, diarylpyrimidine, lcsh:RM1-950, WT, wild-type, Reverse transcriptase, AIDS, acquired immunodeficiency syndrome, DATA, diaryltriazine, Enzyme, CC50, 50% cytotoxicity concentration, lcsh:Therapeutics. Pharmacology, chemistry, HIV-1, NNRTIs, PK, pharmacokinetics, Nucleoside
وصف الملف: Print-Electronic
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المؤلفون: Rafael Balaña-Fouce, Yolanda Pérez-Pertejo, José Miguel Escudero-Martínez, Pablo A. García, Rosa M. Reguera, María Ángeles Castro, Arturo San Feliciano, Pablo G. Jambrina
المصدر: International Journal for Parasitology: Drugs and Drug Resistance, Vol 11, Iss, Pp 70-79 (2019)
International Journal for Parasitology: Drugs and Drug Resistanceمصطلحات موضوعية: 0301 basic medicine, LTopIB, Leishmania Type IB DNA Topoisomerase, Topoisomerase Inhibitors, Drug Resistance, Anthraquinones, Mice, 0302 clinical medicine, NQ, Naphthoquinone, Pharmacology (medical), Leishmania infantum, ADME, Mice, Inbred BALB C, biology, Chemistry, Quinones, Regular Article, Acridinequinone, Hep G2 Cells, BAcQ, Benzoacridinequinone, Quinone, DNA-Topoisomerase IB, CPT, Camptothecin, Molecular Docking Simulation, Infectious Diseases, Biochemistry, Leishmaniasis, Visceral, Female, medicine.symptom, Terpenylquinones, Antiparasitic, medicine.drug_class, AQ, Anthraquinone, 030231 tropical medicine, Antiprotozoal Agents, SI, Selectivity Index, VL, Visceral Leishmaniasis, lcsh:Infectious and parasitic diseases, FBS, Foetal Bovine Serum, 03 medical and health sciences, medicine, iRFP, Infrared Fluorescent Protein, Animals, Humans, AMB, Amphotericin B deoxycholate, lcsh:RC109-216, Pharmacology, Macrophages, Druglikeness, biology.organism_classification, In vitro, 030104 developmental biology, Mechanism of action, Docking (molecular), MTF, Miltefosine, Parasitology, Camptothecin, DNA Topoisomerases, Spleen, Naphthoquinones
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المؤلفون: Deepak Shilkar, Venkatesan Jayaprakash, Biswatrish Sarkar, Barij Nayan Sinha, Sheikh Murtuja
المصدر: Bioorganic & Medicinal Chemistry
مصطلحات موضوعية: NMR, Nuclear magnetic resonance, viruses, medicine.medical_treatment, Clinical Biochemistry, Pharmaceutical Science, Dengue virus, medicine.disease_cause, Biochemistry, Dengue fever, Drug Discovery, YFV, Yellow fever virus, Coronavirus 3C Proteases, Chemistry, SARS, Severe acute respiratory syndrome-coronavirus, SI, Selectivity index, DHF, Dengue hemorrhagic fever, Cysteine Endopeptidases, WNV, West Nile virus, Molecular Medicine, HTS, Dengue-COVID-19 co-infection, Proteases, Hepatitis C virus, JEV, Japanese encephalitis virus, DSS, Dengue shock syndrome, Antiviral Agents, Article, HIV, Human Immuno-deficiency Virus, Virus, medicine, Humans, Protease inhibitor (pharmacology), Protease Inhibitors, NS2B-NS3-pro inhibitors, High-throughput virtual screening (HTVS), Molecular Biology, Dengue vaccine, ORF, Open reading frames, Protease, SARS-CoV-2, HTVS, High-throughput virtual screening, Organic Chemistry, Dengue Virus, medicine.disease, Virology, HTS, High-throughput screening, peptidomimetics, HCV, Hepatitis C Virus, SLC, Split luciferase complementation, DENV, Dengue virus
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المؤلفون: Feihu Yan, Ying Guo, Logan Banadyga, Shihua He, Wenjun Zhu, Guo Jiamei, Xiangguo Qiu, Qing Chen, Tang Ke, Xiaoyu Zhang
المصدر: Antiviral Research
مصطلحات موضوعية: Cyclopropanes, 0301 basic medicine, MAPK/ERK pathway, SABV, Sabia virus, Pyridines, viruses, Drug repurposing, TMD, transmembrane domain, medicine.disease_cause, CHPV, Chapare virus, SI, selectivity index, p38 Mitogen-Activated Protein Kinases, α-DG, α-dystroglycan, Chlorocebus aethiops, Enzyme Inhibitors, COPD, chronic obstructive pulmonary diseases, Lassa fever, WWAV, Whitewater Arroyo virus, SSP, stable signal peptide, chemistry.chemical_classification, JUNV, Junin virus, MACV, Machupo virus, V-ATPase, vacuolar-type H+-ATPase, Arenavirus, SlP, site 1 protease, Entry inhibitor, GEQ, genome equivalent, hTfR1, Human transferrin receptor 1, LCMV, Lymphocytic choriomeningitis virus, 3. Good health, CC50, half maximal cytotoxic concentration, CPE, cytopathic effect, SSP-GP2, VHF, viral hemorrhagic fever, EC50, half maximal effective concentration, medicine.drug, GPC, glycoprotein complex, 030106 microbiology, Biology, Antiviral Agents, Article, Cell Line, Viral hemorrhagic fever, 03 medical and health sciences, Lassa Fever, GTOV, Guanarito virus, BSL-4, biosafety level 4, Virology, medicine, Animals, Arenaviridae Infections, Humans, Lassa virus, Protein kinase A, Vero Cells, LASV, Lassa virus, Pharmacology, Losmapimod, Drug Repositioning, LAMP1, lysosome-associated membrane protein 1, Virus Internalization, medicine.disease, LUJV, Lujo virus, 030104 developmental biology, chemistry, Glycoprotein, Viral Fusion Proteins, CAD, cation amphiphilic drug
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المؤلفون: Jin A. Shin, Subin Oh, Jong-Moon Jeong
المصدر: Phytomedicine Plus
Phytomedicine Plus, Vol 1, Iss 4, Pp 100058-(2021)مصطلحات موضوعية: HPLC, High-performance liquid chromatography, Antioxidant, DPPH, medicine.medical_treatment, Pharmacology, Epigallocatechin gallate, MTT, 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide, Other systems of medicine, chemistry.chemical_compound, IL, Interleukin, LPS, Lipopolysaccharide, General Environmental Science, DPPH, 2,2-diphenyl-1-picrylhydrazyl, COVID-19, Coronavirus disease 2019, ABTS, Chemistry, General Engineering, SI, Selectivity index, ELISA, enzyme-linked immunosorbent assay, DXM, Dexamethasone, H&E, Hematoxylin and eosin, DRC, Dose-response curve, IFNs, interferons, Tumor necrosis factor alpha, Quercetin, medicine.drug_class, PBS, Phosphate buffered saline, IC, Inhibitory concentration, COX, Cyclooxygenase, Article, Anti-inflammatory, medicine, ABTS, 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), Antiviral, SARS-CoV-2, Severe acute respiratory syndrome coronavirus 2, SARS-CoV-2, TNF, Tumor necrosis factor, COVID-19, DMSO, Dimethyl sulfoxide, ACE2, Angiotensin converting enzyme 2, Endotoxemia, iNOS, Inducible nitric oxide synthase, EGCG, Epigallocatechin gallate, CC, Cytotoxic concentration, SEM, Standard error of the mean, FBS, Fetal bovine serum, Vero cell, General Earth and Planetary Sciences, RZ201-999
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::836dc6ed3e4a5da4627394d932c06e17
https://pubmed.ncbi.nlm.nih.gov/35403084 -
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المؤلفون: Jamil A. Shilpi, Dipto Kumer Sarker, Satyajit D. Sarker, Razina Rouf, Evelin Tiralongo, Lutfun Nahar, Eunus S. Ali, Muhammad Torequl Islam, Shaikh Jamal Uddin
المصدر: Trends in Food Science & Technology
مصطلحات موضوعية: 0301 basic medicine, MAPK/ERK pathway, MARS-CoV, Middle East respiratory syndrome coronavirus, VV, Vaccinia virus, NA, Not available, AGE, Aged garlic extract, IAV-H1N1, IBV Influenza A virus-H1N1, Hp, Haptoglobin, Pharmacology, AdV-41, Adenovirus-41, HPV, Influenza B virus Human papillomavirus, IEG1, Immediate-early gene 1, 0302 clinical medicine, IEGs, Immediate-early genes, NK, Natural killer, OSCs, Organosulfur compounds, MAPK, Mitogen activated protein kinase, Medicine, CoV, Coronavirus, DDB, Dimethyl-4,4′-dimethoxy-5,6,5′,6′-dimethylene dioxybiphenyl-2,2′-dicarboxylate, ECHO11, Echovirus-11, SAMC, S-allyl-mercaptocysteine, HCMV, Human cytomegalovirus, HRV-2, Human rhinovirus type 2, AdV-3, Adenovirus-3, Kinase, RMCW, Recalcitrant multiple common warts, ERK, Extracellular-signal-regulated kinase, food and beverages, MDCK cells, Madin-darby canine kidney cells, SI, Selectivity index, LGE, Lipid garlic extract, SAMG, S-allyl-mercapto-glutathione, SWV, Spotted wilt virus, SAC, Serum antioxidant concentration, 030220 oncology & carcinogenesis, GRAS, Generally regarded as safe, Signal transduction, RCTs, Randomized clinical trials, Allium sativum, HSV-1, Herpes simplex virus-1, Biotechnology, HIV-1, Human immunodeficiency virus-1, PGE, Powdered garlic extract, Immunomodulatory, PRV, Porcine Rotavirus, Article, ARVI, Acute respiratory viral infection, SARS-CoV, Severe acute respiratory syndrome coronavirus, CPE, Cytopathic effect, DADS, Diallyl disulfide, 03 medical and health sciences, Immune system, ECM, Extracellular matrix, Functional food, Viral entry, PVY, Potato Virus Y, HAV, Hepatitis A virus, AIV-H9N2, Avian influenza virus-H9N2, GLRaV‐2, Grapevine leafroll‐associated virus 2, Pandemic, GO, Garlic oil, business.industry, DAS, Diallyl sulfide, MeV, Measles virus, RV-SA-11, Rotavirus SA-11, ALT, Alanine aminotransferase, HSV-2, Herpes simplex virus-2, PRRSV, Porcine reproductive and respiratory syndrome virus, GE, Garlic extract, Reverse transcriptase, PIV- 3, Parainfluenza virus-3, FDA, Food and drug administration, 030104 developmental biology, NDV, Newcastle disease virus, VSV, Vesicular stomatitis virus, CBV-3, Coxsackie B −3, DATS, Diallyl trisulfide, business, Food Science, Organosulfur compounds, SRGE, Sustained release garlic extract
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المؤلفون: Viktor Kelemen, Lieve Naesens, Son Le Thai, Pál Herczegh, Annelies Stevaert, Evelien Vanderlinden, Gyula Batta, Magdolna Csávás, Anikó Borbás, Zsolt Szűcs, Erzsébet Rőth
المصدر: European Journal of Medicinal Chemistry
مصطلحات موضوعية: Maleimide, 0301 basic medicine, SI, selectivity index, chemistry.chemical_compound, Drug Discovery, MCC, minimum cytotoxic concentration, logP, logarithm of the partition coefficient, Influenza virus inhibitor, Molecular Structure, Galp, galactopyranose, Chemistry, Teicoplanin, General Medicine, NA, neuraminidase, Glycopeptide, DCM, dichloromethane, HIV, human immunodeficiency virus, CPE, cytopathic effect, Influenza A virus, Lipophilicity, Click chemistry, DMF, dimethylformamide, tosyl, p-toluenesulfonyl, medicine.drug, Cell Survival, Stereochemistry, medicine.drug_class, SARS-CoV, severe acute respiratory syndrome coronavirus, 030106 microbiology, Et3N, triethylamine, MTS, 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium, Microbial Sensitivity Tests, Glycopeptide antibiotic, Sulfonamide, SEM, standard error of the mean, Antiviral Agents, Article, Cell Line, Structure-Activity Relationship, 03 medical and health sciences, medicine, Humans, Structure–activity relationship, Cell Proliferation, Pharmacology, TLC, thin layer chromatography, Dose-Response Relationship, Drug, Lipoglycopeptide, Organic Chemistry, PMB, p-methoxybenzyl, Coronavirus, Influenza B virus, M2, Matrix-2, 030104 developmental biology, TEG, tetraethylene glycol, Ph, phenyl, MDCK, Madin−Darby Canine Kidney, Linker, HA, hemagglutinin
