Computational Approach to Drug Development Against SARS-CoV-2

Computational Approach to Drug Development Against SARS-CoV-2

SARS-CoV-2 has uniquely crippled the world. To combat the SARS-CoV-2 virus and prevent future epidemics, significant antiviral research needs to be conducted. Nine non-structural proteins of SARS-CoV-2 have been designated as promising drug targets. These targets were because the proteins were highly conserved from SARS-CoV to SARS-CoV-2, and they were vital for viral replication. Of the nine good targets, NSP12 is a unique drug target. NSP12 is the viral RNA-dependent RNA polymerase (RdRp). Remdesivir is currently being used to target NSP12. The RdRp of RNA positive-strand viruses has seven conserved motifs that allow the cross activity of Remdesivir. This cross-reactivity could be essential in the drug discovery process because drugs that target NSP12 of SARS-CoV-2 could be effective against other viruses. NSP12 drug targets were investigated using PyRx and then docking using Chimera.