Screening marine algae metabolites as high-affinity inhibitors of SARS-CoV-2 main protease (3CLpro): an in silico analysis to identify novel drug candidates to combat COVID-19 pandemicArticle Published on 2020-11-212022-10-27 Journal: Applied Biological Chemistry [Category] COVID-19, [키워드] 3CLpro Absorption Analysis binding energy Callophysin A catalytic clinical trials clinically complex Compound compounds Computational approaches COVID-19 COVID-19 pandemic Cys145 database dissemination docking docking affinity drug candidate excretion free energy His41 hydrogen bonds hydrophobic interactions identify in silico analysis in vitro in vivo indicated inhibitor inhibitors of SARS-CoV-2 Marine-derived compounds metabolite Molecular docking and simulation molecular dynamics pandemic protease residue Salt Bridge SARS-CoV-2 screened Screening Seaweeds stability Stage suggested Virtual screening was performed Wuhan [DOI] 10.1186/s13765-020-00564-4 PMC 바로가기 [Article Type] Article