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Anti-HIV and Anti-HCV drugs are the putative inhibitors of RNA-dependent-RNA polymerase activity of NSP12 of the SARS CoV-2 (COVID-19)


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Abstract

Corona virus is the emerging infectious viral agent that had to threaten the world with its epidemic since 2003 with SARS and 2013 with MERS virus. This virus again stuck the whole world with its robust pandemic in 2019whena novel form of the corona virus was emerged in and infect the local population of Wuhan, China. The virus named as SARS CoV-2 and the disease caused by this infectious virus is introduced as COVID 19. Since December 2019, this virus took more than 432, 973 lives all around the world. This study elaborates the role of HIV and HCV drug in targeting nsp12 gene of SARS CoV 2 that is responsible for RNA dependent RNA polymerase activity. The work employed homology modelling, structure validation and molecular docking analysis to evaluate the binding affinity and interaction analysis between NSP12 (RdRp) protein and HIV/HCV drugs. Outcome of the study impacted on Nelfinavir (NFV), Raltegravir (RAL) and Delavirdine (DLV) among Anti-HIV and Paritaprevir (PTV), Beclabuvir (BCV) and Ledipasvir (LDV) among Anti-HCV as the most effective inhibitors of SARS CoV-2 RdRp ternary complexes. The drugs have a strong binding affinity with the residues that are present in the active site of RdRp of the virus and essential for its replication. This study establishes significant information in the direction of therapeutic development as we are dealing with the situation where we urgently required medication or vaccine to combat COVID-19. Therefore, this study provides essential molecular information about the FDA approved antiviral drugs that can be used to treat this disease. Importantly, the listed drugs had never prioritized for their effectiveness against COVID-19.

Keywords

COVID-19, NSP12 (RdRp), antiviral drug, molecular docking

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