换一批In search of RdRp and Mpro inhibitors against SARS CoV-2: Molecular docking, molecular dynamic simulations and ADMET analysis.
第一作者：
Normi D,Gajjar
第一单位：
L.M. College of Pharmacy, Navrangpura, Ahmedabad 380 009, Gujarat, India.
作者：
关键词
3CLpro, 3-chymotrypsin-like proteaseACE, Angiotensin converting enzymeADMET, Absorption, distribution, metabolism, excretion, and toxicityASL, Atom specification languageCOVID-19, Corona virus disease-2019Dscore, Druggability scoreEM, Electron microscopyHB, Hydrogen bondMD simulationMD simulation, Molecular dynamic simulationMolecular dockingMproMpro, Main proteaseNatural productsPLpro, Papain-like proteaseRMSD, Root mean square deviationRMSF, Root mean square fluctuationRdRP, RNA-dependent RNA polymeraseRdRpRoG, Radius of gyrationSARS CoV-2SARS CoV-2, Severe acute respiratory syndrome coronavirus 2SASA, Solvent accessible surface areaSP, Standard precisionWHO, World health organizationnsp, Non-structural protein
DOI
10.1016/j.molstruc.2021.130488
PMID
33903778
发布时间
2022-12-15
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