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 Journal

مصطلحات 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

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca9bba885f52a030829148a7dd4dbf93Test
http://www.sciencedirect.com/science/article/pii/S2001037021003603Test

المؤلفون: A.C.M. Zeri, Andre S. Godoy, Higor Vinícius Dias Rosa, A. Douangamath, D. Fearon, Marjorie Caroline Liberato Cavalcanti Freire, F. von Delft, G.D. Noske, R.S. Fernandes, A.F.Z. Nascimento, Humberto D'Muniz Pereira, Glaucius Oliva, G.M.A. Lima, A.M. Nakamura, V.O. Gawriljuk

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Journal of Molecular Biology

مصطلحات موضوعية: 3CLpro, 3C-like protease, medicine.medical_treatment, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Mutant, SEC-MALS, size exclusion chromatography coupled with multi-angle light scattering, DMSO, dimethyl sulfoxide, Crystallography, X-Ray, Cleavage (embryo), DSF, differential scanning fluorimetry, FRET, fluorescence resonance energy transfer, drug discovery, Serine, Viral Proteins, IMAC, immobilized metal affinity chromatography, MERS-CoV, Middle East Respiratory Syndrome Coronavirus, r.m.s.d., root mean square deviation, Structural Biology, Catalytic Domain, medicine, Humans, Maturation process, Molecular Biology, COVID, Protease, HRV, Human Rhinovirus, biology, EDTA, ethylenediaminetetraacetic acid, Chemistry, Drug discovery, SARS-CoV-2, maturation, PLANEJAMENTO DE FÁRMACOS, Active site, Crystallography, SARS-CoV-2, Severe Acute Respiratory Syndrome Coronavirus 2, DTT, dithiothreitol, HPLC, high performance liquid chromatography, biology.protein, ORF, open reading frame, PNK, T4 polynucleotide kinase, TEV, Tobacco Etch Virus, Dimerization, LIC, ligation independent cloning. Mpro, main protease, Peptide Hydrolases, Research Article, Mpro

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d8be5caf0449ca3ec7e2df71c823a0fTest

المؤلفون: Kalyan Ghosh, Sk. Abdul Amin, Suvankar Banerjee, Tarun Jha, Shovanlal Gayen

المصدر: Bioorganic & Medicinal Chemistry

مصطلحات موضوعية: Peptidomimetic, viruses, medicine.medical_treatment, CoV, coronavirus, Clinical Biochemistry, Drug Evaluation, Preclinical, Quantitative Structure-Activity Relationship, Pharmaceutical Science, medicine.disease_cause, 01 natural sciences, Biochemistry, chemistry.chemical_compound, S protein, spike protein, Catalytic Domain, Drug Discovery, Coronavirus 3C Proteases, COVID-19, coronavirus disease 2019, Coronavirus, media_common, chemistry.chemical_classification, E protein, envelope protein, PLpro, papain-like protease, Molecular Structure, Chemistry, Drug discovery, MERS-CoV, Middle East respiratory syndrome coronavirus, SPCI, Structural and physico-chemical interpretation, Molecular Docking Simulation, PLpro, Molecular Medicine, EBOV, Ebola virus, Structure-activity relationship (SAR), Mpro, Protein Binding, Drug, media_common.quotation_subject, SARS-CoV, severe acute respiratory syndrome coronavirus, Computational biology, Cysteine Proteinase Inhibitors, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, Antiviral Agents, Article, WHO, World Health Organization, ORF, open reading frame, SAR, Structure-activity relationship, medicine, M protein, membrane protein, NTD, N-terminal domain, RdRp, RNA-dependent RNA polymerase, Molecular Biology, ComputingMethodologies_COMPUTERGRAPHICS, Protease, SARS-CoV-2, 010405 organic chemistry, Organic Chemistry, COVID-19, Nsp, non-structural proteins, N protein, nucleocapsid protein, QSAR, Quantitative structure-activity relationship, 0104 chemical sciences, Mpro, main protease, 010404 medicinal & biomolecular chemistry, Papain, Enzyme, Non-covalent inhibitor, 3CLpro, 3C-like protease or main protease, Viral replication

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39f26a82842660cdbaac04e5441c54ccTest

المؤلفون: Zhili Zuo, Li Zhang, Yu Lei, Bin Liu, Hang Xie, Yechun Xu, Sheng Guo

المصدر: Bioorganic Chemistry

مصطلحات موضوعية: 3CLpro, 3C-like protease, medicine.medical_treatment, Drug Evaluation, Preclinical, 01 natural sciences, Biochemistry, MERS-CoV, middle east respiratory syndrome coronavirus, Docking (dog), PLP, papain-like proteases, PAINS, pan assay interference compounds, Drug Discovery, BBB, blood brain barrier penetration, PDB, protein data bank, Pathogen, RMSD, root mean square difference, Coronavirus 3C Proteases, media_common, ORF, open reading frame genes, HCoV-229E, Human coronavirus 229E, Chemistry, HIA, human intestinal absorption, COVID-19, corona virus disease 2019, N, Nucleocapsid protein, Molecular Docking Simulation, DS 4.0, Discovery Studio 4.0, Biochemical evaluation, Virtual screening, Drug, 2019-20 coronavirus outbreak, Coronavirus disease 2019 (COVID-19), Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), media_common.quotation_subject, HCoV-NL63, Human coronavirus NL63, Computational biology, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, Antiviral Agents, Article, ER, endoplasmic reticulum, E, envelope protein, HCoV-OC43, Human coronavirus OC43, medicine, Humans, UTR, untranslated regions, Protease Inhibitors, Molecular Biology, ComputingMethodologies_COMPUTERGRAPHICS, nsps, non-structural proteins, Protease, pp1ab, polyprotein 1ab, S, spike glycoprotein, 010405 organic chemistry, SARS-CoV-2, pp1a, polyprotein 1a, Organic Chemistry, 0104 chemical sciences, Mpro, main protease, 010404 medicinal & biomolecular chemistry, M, membrane protein, Main protease, IC50, Half maximal inhibitory concentration, HCoV-HKU1, Human coronavirus Hong Kong University 1, CYP450, cytochrome P450

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64603f79f7dca1b2529aabbb2a2d9f48Test
https://pubmed.ncbi.nlm.nih.gov/33667900Test

المؤلفون: Katarzyna Mikula, Katarzyna Chojnacka, Dawid Skrzypczak, Piotr Młynarz, Anna Witek-Krowiak

المصدر: Journal of Functional Foods
Journal of Functional Foods, Vol 73, Iss, Pp 104146-(2020)

مصطلحات موضوعية: 0301 basic medicine, GSH, Herbal extract from Gentianae Radix, 3CLpro, 3C-like protease, TCH, Herbal extract from Loranthi Ramus, FFA, Free fatty acid, IC50, 50% inhibitory concentrations, Covid-19, Coronavirus Disease 2019, Phytochemicals, CDC, Cholesterol-dependent cytolysin, Medicine (miscellaneous), Pharmacology, medicine.disease_cause, GCG, Gallocatechin gallate, Bioactivity, CTH, Herbal extract from Cassiae Semen, MNP, Marine Natural Product, chemistry.chemical_compound, DNA, Deoxyribonucleic acid, MERS-CoV, Middle East Respiratory Syndrome Coronavirus, Mpro, The major protease, Betulinic acid, TX341-641, DBM, Herbal extract from Dioscoreae Rhizoma, PLpro, The papain-like protease, Coronavirus, chemistry.chemical_classification, Nutrition and Dietetics, Chemistry, food and beverages, Biological activity, 04 agricultural and veterinary sciences, 040401 food science, EC50, 50% effective concentration, Pharmacophore, PLY, Pneumolysin, Article, WHO, World Health Organization, 03 medical and health sciences, 0404 agricultural biotechnology, SARS-CoV, Severe Acute Respiratory Syndrome coronavirus, ACE2, Angiotensin-converting enzyme 2, medicine, RNA, Ribonucleic acid, Antiviral, ComputingMethodologies_COMPUTERGRAPHICS, 030109 nutrition & dietetics, Pandemic, Nutrition. Foods and food supply, CBE, CBM, Herbal extracts from Rhizoma Cibotii, Polyphenols, Plant extracts, MTT test, Cytotoxicity test using 3- (4,5-dimethylthiazol-2-yl) −2,5-diphenyltetrazolium bromide, Enzyme, CC50, 50% cytotoxicity concentration, Viral replication, Polyphenol, FA, Fatty acid, Luteolin, CPE, Cytopathogenic effect, Food Science

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d14cee82201483e806e223697fbea2f9Test

المؤلفون: Hridoy R. Bairagya, Alvea Tasneem, Saima Reyaz, Gyan Prakash Rai

المصدر: Journal of Molecular Graphics & Modelling

مصطلحات موضوعية: 3CLpro, 3C-like protease, Stereochemistry, Structural analogs of HCQ, medicine.medical_treatment, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), CoV, coronavirus, WFP, water finding probability, HTS, high-throughput screening, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, Article, nCOVID-19, nCOVID-19, novel coronavirus disease 2019, Computational binding study, Drug Discovery, Materials Chemistry, medicine, Humans, SARS, severe acute respiratory syndrome, Physical and Theoretical Chemistry, Spectroscopy, Virtual screening, Protease, biology, SARS-CoV-2, Drug discovery, Chemistry, MD Simulation, Active site, HCQ, hydroxychloroquine, Experimental validation, Hydroxychloroquine (HCQ), Computer Graphics and Computer-Aided Design, COVID-19 Drug Treatment, Molecular Docking Simulation, Mpro, main protease, Docking (molecular), Main protease, Water displacement method, biology.protein, Indacaterol, Hydroxychloroquine, Peptide Hydrolases, medicine.drug

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9bf7988ecd2af7856af362a0cb7abfa2Test
https://doi.org/10.1016/j.jmgm.2021.108021Test

المؤلفون: Chunmei Zhu, Fei Sun, Guoliang Zhu, Yun Zhu

المصدر: Current Research in Microbial Sciences
Current Research in Microbial Sciences, Vol 1, Iss, Pp 53-61 (2020)

مصطلحات موضوعية: 3CLpro, 3C-like protease, MERS-CoV, the Middle Eastern respiratory syndrome coronavirus, medicine.medical_treatment, viruses, 6-HB, six-helix bundle, lcsh:QR1-502, N protein, Nucleocapsid protein, sgRNA, subgenomic RNA, medicine.disease_cause, lcsh:Microbiology, Drug-screening, Pandemic, HR1, heptad repeat 1, skin and connective tissue diseases, General Environmental Science, Coronavirus, Genomic organization, COVID-19, coronavirus disease 2019, CatB/L, cysteine proteases-cathepsin B and L, HR2, heptad repeat 2, RMP, The remdesivir monophosphate, RBM, receptor-binding motif, virus diseases, RBD, receptor-binding domain, gRNA, genomic RNA, NSP, non-structural proteins, Pneumonia (non-human), M protein, Membrane protein, Genome-encoded proteins, lcsh:QH426-470, Coronavirus disease 2019 (COVID-19), Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), SARS-CoV, severe acute respiratory syndrome coronavirus, PD, peptidase domain, E protein, Envelope protein, Biology, ACE2, angiotensin-converting enzyme 2, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, Article, medicine, RdRp, RNA-dependent RNA polymerase, Protease, SARS-CoV-2, fungi, Structure-based screening, Outbreak, COVID-19, S protein, Spike glycoprotein, medicine.disease, Virology, respiratory tract diseases, body regions, lcsh:Genetics, Mpro, Main protease, ORF, Open reading frame, General Earth and Planetary Sciences

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47c426bd40828aafcd5a1b1de6a6c34aTest
http://europepmc.org/articles/PMC7323663Test

المؤلفون: Eunhye Jung, Chih-Jung Kuo, Joo-Youn Lee, Young-Sik Jung, Jin Soo Shin, Po-Huang Liang

المصدر: Bioorganic & Medicinal Chemistry Letters

مصطلحات موضوعية: 3CLpro, 3C-like protease, viruses, medicine.medical_treatment, Clinical Biochemistry, KCB, Korean compound bank, Drug Evaluation, Preclinical, SARS-CoV-2, severe acute respiratory syndrome CoV-2, Pharmaceutical Science, Plasma protein binding, medicine.disease_cause, 01 natural sciences, Biochemistry, IC50, half-maximal inhibitory concentration, Chlorocebus aethiops, Drug Discovery, Severe acute respiratory syndrome coronavirus 2, MERS-CoV, Middle East respiratory syndrome CoV, MOI, multiplicity of infection, Coronavirus 3C Proteases, Coronavirus, chemistry.chemical_classification, Coronavirus disease 2019, virus diseases, Antivirals, Molecular Docking Simulation, CPE, cytopathic effect, Molecular Medicine, Protein Binding, Polyproteins, Microbial Sensitivity Tests, Antiviral Agents, Article, Small Molecule Libraries, PDB, Protein Data Bank, Republic of Korea, medicine, Animals, Protease Inhibitors, Vero Cells, Molecular Biology, ComputingMethodologies_COMPUTERGRAPHICS, Virtual screening, Protease, Inhibitors, SARS-CoV-2, 010405 organic chemistry, 3D, three-dimensional, fungi, Organic Chemistry, biochemical phenomena, metabolism, and nutrition, FDA, Food and Drug Administration, Virology, In vitro, respiratory tract diseases, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Enzyme, CC50, half-maximal cytotoxic concentration, chemistry, Vero cell, EC50, half-maximal effective concentration, COVID-19, coronavirus (CoV) disease 2019, 3C-like protease

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68660c817ae3506179b92133ff66e206Test
https://doi.org/10.1016/j.bmcl.2021.128067Test

المؤلفون: Wenfa Zhang, Preyesh Stephen, Sheng-Xiang Lin, Yi Tao, Ruixuan Wang

المصدر: Biomedicine & Pharmacotherapy, Vol 137, Iss, Pp 111232-(2021)
Biomedicine & Pharmacotherapy

مصطلحات موضوعية: 0301 basic medicine, 3CLpro, 3C-like protease, viruses, ADME, absorption, distribution, metabolism, and excretion, IC50, half maximal inhibitory concentration, Review, CoVs, coronaviruses, RBM, receptor binding motif, 0302 clinical medicine, Pandemic, Repurposing, media_common, PLpro, papain-like protease, hrsACE2, human recombinant soluble ACE2, General Medicine, Angiotensin-converting enzyme 2, 3. Good health, Drug repositioning, Treatment Outcome, 030220 oncology & carcinogenesis, Identification (biology), Main and papain-like proteases, TCM, Traditional Chinese medicine, NK, natural killer, NiRAN, Nucleotidyl-transferases, Drug, S, spike, Proteases, media_common.quotation_subject, SI, selective index, RM1-950, Computational biology, Spike protein, Repurposing and de novo strategies, Biology, SARS-CoV, severe acute respiratory syndrome (SARS) coronavirus, Hel, helicase, SARS-CoV-2, severe acute respiratory syndrome coronavirus 2, E, envelop, Antiviral Agents, Virus, Viral Proteins, 03 medical and health sciences, Pharmacotherapy, Drug Development, M, membrane, Humans, SARS, severe acute respiratory syndrome, nsp, non-structural protein, RdRp, RNA-dependent RNA polymerase, ACE2, Angiotensin-Converting Enzyme 2, MERS-CoV, Middle East respiratory syndrome (MERS) coronavirus, HTS, High Through-put Screening, Pharmacology, SARS-CoV-2, MERS, Middle East respiratory syndrome, Drug Repositioning, COVID-19, Virus Internalization, FDA, Food and Drug Administration, COVID-19 Drug Treatment, Mpro, main protease, CC50, half-cytotoxic concentration, 030104 developmental biology, RNA-dependent-RNA-polymerase, EC50, half-maximal effective concentration, TMPRSS2, the transmembrane protease, serine 2, Therapeutics. Pharmacology, N, nucleocapsid

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9e4702c98457752ad00f2825571b3abTest
https://doi.org/10.1016/j.biopha.2021.111232Test

المؤلفون: Hui Nan, Xiaodong Ren, Pengcheng Yu, Hong Liu, Qiao Guaiping, Wenqiang Cao, Liu Yuzhi, Ju Xingke, Li Han, Jia Minyi, Lei Tian, Li Juan, Liang Chengyuan

المصدر: Phytomedicine Plus
Phytomedicine Plus, Vol 1, Iss 2, Pp 100027-(2021)

مصطلحات موضوعية: Vero E6, African Green Monkey Kidney Epithelial-6, Huh-7, Human Hepatocellular Carcinoma-7, 3CLpro, 3C-like protease, HPLC, High-performance liquid chromatography, MOI, Multiplicity of infection, MERS, Middle east respiratory syndrome, AECOPD, Acute exacerbation of chronic obstructive pulmonary disease, Pharmacology, Other systems of medicine, IP-10, Interferon-inducible protein-10, Medicine, CCL-2/MCP-1, C-C motif ligand 2/monocyte chemoattractant protein-1, gp-130, Glycoprotein 130, HSV-1, Herpes simplex virus type 1, General Pharmacology, Toxicology and Pharmaceutics, qPCR, Quantitative PCR, media_common, MTT, Methyl Thiazolyl Tetrazolium, ERK, Extracellular signal-regulated kinase, CC50, 50% Cytotoxic concentration, IAV, Influenza A virus, HIV, Human immunodeficiency virus, mIL-6R, Membrane-bound form IL-6 Receptor, RSV, Respiratory syncytial virus, IL-8, Interleukin-8, Drug, media_common.quotation_subject, TCID50, 50% Tissue culture infective dose, COPD, Chronic obstructive pulmonary disease, Pharmacy, Article, DMSO, Dimethyl sulfoxide, mTOR, Mammalian target of rapamycin, HVJ, Hemagglutinating virus of Japan, medicine.disease, IBV, Influenza B virus, Clinical trial, CSS, Cytokine storm syndrome, Complementary and alternative medicine, RZ201-999, MIP-1β, Macrophage Inflammatory Protein-1β, IL-6R, IL-6 Receptor, MAPK, Mitogen-activated protein kinase, MOF, Multifunctional organ damage, AQP3, Aquaporins 3, PKA/p-CREB, Protein kinase A /phosphorylated cAMP response element-binding protein, nsps, Non-structural proteins, CXCL-10/IP-10, C-X-C Motif Chemokine Ligand 10/ Interferon Gamma-induced Protein 10, IFN-λ1, Interferon-λ1, Pandemic, PKB, Akt, Protein kinase B, ORFs, Open reading frames, CAT, COPD assessment test, COVID-19, Coronavirus disease 2019, Grb2, Growth factor receptor-bound protein 2, biology, LD50, 50% Lethal dose, TD50, Half-toxic dose, Cytokine storm syndrome (CSS), MLD50, 50% Minimum lethal dose, Hep-2, Human epithelial type 2, FBS, Fatal bovine serum, LH capsules, Forsythia honeysuckle (Lianhuaqingwen) capsules, CT, Computed tomography, NF-kB, Nuclear transcription factor kappa-B, M protein, Membrane protein, RT-PCR, Reverse transcription PCR, PLpro, Papain-like proteases, PI3K, Phosphoinositide 3-kinases, MDCK, Madin-darby canine kidney, Coronavirus disease 2019 (COVID-19), MCP-1, Monocyte chemotactic protein 1, PBS, Phosphate buffered saline, E protein, Envelope protein, RANTES, Regulated on activation normal T cell expressed and secreted, CPE, Cytopathic effect, PRC, People's Republic of China, Forsythia, MEK, Mitogen-activated protein kinase kinase, ACE2, Angiotensin-converting enzyme 2, ARDS, Acute respiratory distress syndrome, PHN, Phillyrin, IL-6, Interleukin-6, AIDS, Acquired immune deficiency syndrome, JAK/STAT, Janus kinase/signal transducers and activators of transcription, IC50, 50% Inhibition concentration, QC, Quality control, SARS-CoV-2, business.industry, Lianhuaqingwen, COVID-19, Forsythia honeysuckle (Lianhuaqingwen,LH) capsules, biology.organism_classification, CFDA, China Food and Drug Administration, JAK1/2, Janus kinase1/2, 3C-like protease (3CLpro), Ras, Ras GTPase, business, Cytokine storm, NHC, National Health Commission, TD0, Non-toxic Dose

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ed6ee319ef2e397034c14aa22649908Test
https://doi.org/10.1016/j.phyplu.2021.100027Test