Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug RepositionArticle Published on 2020-05-272022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, MERS, SARS, [키워드] 2019-nCoV 3CL-Pro Algorithm Alprazolam antiviral drug approved drug AutoDock binding mode Carprofen Celecoxib Chymotrypsin-like protease COVID COVID-19 COVID-19 pandemic docked docking drug effective generate Glide high affinity in vitro inhibit inhibitor M-pro novel outbreak perampanel predict predicted prediction protease protocol Replication reposition responsible Sarafloxacin SARS Coronavirus SARS-CoV-2 Scientific community selected Spread the disease Treatment trovafloxacin Virtual screening virus [DOI] 10.3390/ijms21113793 PMC 바로가기 [Article Type] Article
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million CompoundsArticle Published on 2020-05-212022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, MERS, [키워드] acute respiratory syndrome antiviral drug antiviral therapeutics applied approved binding binding affinity binding mode caused China Compound compounds Computational chemistry conducted coronavirus docked docking drug Epidemic evaluated Identified inhibitor inhibitors initial Ligand M pro molecular Molecular dynamics simulation nine novel other protease outbreak patients pharmacies polyprotein Potential predicted protease Proteolytic processing protocol public health reported Rhamnetin SARS-2-CoV SARS-CoV virus SARS-CoV-2 screened Screening Spread stability target protease therapeutic intervention therapeutic strategy treat Vaccine viral infections Virtual screening [DOI] 10.3390/ijms21103626 PMC 바로가기 [Article Type] Article