id author title date pages extension mime words sentences flesch summary cache txt cord-333174-g10kvc0c Ahmed, Sinthyia Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2 2020-07-28 .txt text/plain 6773 394 54 title: Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2 In this study, molecular docking, molecular dynamics, and structure-activity relationship are employed to assess the binding affinity and interaction of 76 prescription drugs against RNA dependent RNA polymerase (RdRp) and Main Protease (Mpro) of SARS-CoV-2. Among 76 prescription antiviral drugs, four drugs (Raltegravir, Simeprevir, Cobicistat, and Daclatasvir) that are previously used for human immunodeficiency virus (HIV), hepatitis C virus (HCV), Ebola, and Marburg virus show higher binding energy and strong interaction with active sites of the receptor proteins. The molecular docking approach using AutoDock Vina protocol predicted the binding affinity and the interaction of the selected antiviral drugs with RdRp and Mpro. In this study, we employ drug repurposing approach to identify potential candidates which can bind and interact with RdRp and Mpro proteins of SARS-CoV-2. ./cache/cord-333174-g10kvc0c.txt ./txt/cord-333174-g10kvc0c.txt