换一批In search of SARS CoV-2 replication inhibitors: Virtual screening, molecular dynamics simulations and ADMET analysis.
第一作者：
Prinsa R,Nagar
第一单位：
L. M. College of Pharmacy, Navrangpura, Ahmedabad, Gujarat 380009, India.
作者：
关键词
ACE2, angiotensin converting enzyme 2ADMET assayADMET, absorption, distribution, metabolism, excretion and toxicityBBB, blood-brain barrierBOILED, brain or intestinal estimated permeation methodCOVID-19COVID-19, corona virus disease 2019E, envelope proteinFDA, food and drugs administrationHBA, hydrogen bond acceptorHBD, hydrogen bond donorHERG, human ether-a-go-go-related geneLOAEL, oral rat chronic toxicityM, membrane proteinMD simulationsMD, molecular dynamicsMolecular dockingN, nucleocapsid proteinNSPs, non-structural proteinsRdRpRdRp, RNA dependent RNA polymeraseS, spike glycoproteinSARS CoV-2SARS CoV-2, severe acute respiratory syndrome 2UTR, untranslated regionWHO, world health organizationpp1a/b, polyproteinsssRNA, single stranded ribonucleic acid
DOI
10.1016/j.molstruc.2021.131190
PMID
34334813
发布时间
2022-12-15
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