Glossary of phytoconstituents: Can these be repurposed against SARS CoV-2? A quick in silico screening of various phytoconstituents from plant Glycyrrhiza glabra with SARS CoV-2 main proteaseArticle Published on 2021-02-142023-07-02 Journal: Food and chemical toxicology : an international jo [Category] [DOI] 10.1016/j.fct.2021.112057 PMC 바로가기 [Article Type] Article
Bisindolylmaleimide IX: A novel anti-SARS-CoV2 agent targeting viral main protease 3CLpro demonstrated by virtual screening pipeline and in-vitro validation assaysArticle Published on 2021-01-142023-07-01 Journal: Methods (San Diego, Calif.) [Category] [DOI] 10.1016/j.ymeth.2021.01.003 PMC 바로가기 [Article Type] Article
Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main ProteaseChemistry Published on 2021-01-132022-10-31 Journal: Frontiers in Chemistry [Category] [DOI] 10.3389/fchem.2020.595273 PMC 바로가기 [Article Type] Chemistry
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease가상 현실의 대화형 분자 역학은 SARS-CoV-2 메인 프로테아제에 대한 유연한 기질 및 억제제 도킹을 위한 효과적인 도구입니다Article Published on 2020-12-282022-09-11 Journal: Journal of Chemical Information and Modeling [Category] [DOI] 10.1021/acs.jcim.0c01030 PMC 바로가기 [Article Type] Article
Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease새로운 인간 USP2 억제제의 식별 및 SARS-CoV-2 파파인 유사(PLpro) 프로테아제를 억제함으로써 COVID-19 치료에서 추정되는 역할Article Published on 2020-12-012022-09-11 Journal: Computational biology and chemistry [Category] [DOI] 10.1016/j.compbiolchem.2020.107376 PMC 바로가기 [Article Type] Article
Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSAArticle Published on 2020-11-122023-07-12 Journal: Journal of molecular modeling [Category] [DOI] 10.1007/s00894-020-04600-4 PMC 바로가기
In silico Investigation on the Inhibiting Role of Nicotine/Caffeine by Blocking the S Protein of SARS-CoV-2 Versus ACE2 ReceptorArticle Published on 2020-10-172022-10-29 Journal: Microorganisms [Category] [DOI] 10.3390/microorganisms8101600 PMC 바로가기 [Article Type] Article
Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studiesSARS-CoV-2 주요 프로테아제 억제제로서의 잠재적 생체 활성 글리코실화 플라보노이드: 분자 도킹 및 시뮬레이션 연구Research Article Published on 2020-10-152022-08-13 Journal: PLoS ONE [Category] [DOI] 10.1371/journal.pone.0240653 PMC 바로가기 [Article Type] Research Article
Structural insight into the recognition of S -adenosyl-L-homocysteine and sinefungin in SARS-CoV-2 Nsp16/Nsp10 RNA cap 2′-O-MethyltransferaseResearch Article Published on 2020-10-012022-10-31 Journal: Computational and Structural Biotechnology Journal [Category] [DOI] 10.1016/j.csbj.2020.09.032 PMC 바로가기 [Article Type] Research Article
Computational Study of the Ion and Water Permeation and Transport Mechanisms of the SARS-CoV-2 Pentameric E Protein ChannelMolecular Biosciences Published on 2020-09-232022-10-31 Journal: Frontiers in Molecular Biosciences [Category] [DOI] 10.3389/fmolb.2020.565797 PMC 바로가기 [Article Type] Molecular Biosciences