biostudies-literatureUnknown39(18)Lokhande KBThe outbreak of novel coronavirus (COVID-19), which began from Wuhan City, Hubei, China, and declared as a Public Health Emergency of International Concern by World Health Organization (WHO) on 30^th January 2020. The present study describes how the available drug candidates can be used as a potential SARS-CoV-2 M^pro inhibitor by molecular docking and molecular dynamic simulation studies. Drug repurposing strategy is applied by using the library of antiviral and FDA approved drugs retrieved from the Selleckchem Inc. (Houston, TX, http://www.selleckchem.com) and DrugBank database respectively. Computational methods like molecular docking and molecular dynamics simulation were used. The molecular docking calculations were performed using LeadIT FlexX software. The molecuJournal of biomolecular structure & dynamics7294-7305https://www.ebi.ac.uk/biostudies/studies/S-EPMC7484567biostudies-literatureMolecular docking and simulation studies on SARS-CoV-2 M^pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19.PMC7484567Vyas RSwamy KVLokhande KBDoiphode SfalseMolecular docking and simulation studies on SARS-CoV-2 M^pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19.The outbreak of novel coronavirus (COVID-19), which began from Wuhan City, Hubei, China, and declared as a Public Health Emergency of International Concern by World Health Organization (WHO) on 30^th January 2020. The present study describes how the available drug candidates can be used as a potential SARS-CoV-2 M^pro inhibitor by molecular docking and molecular dynamic simulation studies. Drug repurposing strategy is applied by using the library of antiviral and FDA approved drugs retrieved from the Selleckchem Inc. (Houston, TX, http://www.selleckchem.com) and DrugBank database respectively. Computational methods like molecular docking and molecular dynamics simulation were used. The molecular docking calculations were performed using LeadIT FlexX software. The molecu2021-01-01T00:00:00Z2021 Nov2026-07-16T10:21:08.739Z2020-10-08T07:27:37ZS-EPMC74845673281548110.1080/07391102.2020.1805019