DRUG REPURPOSING: IDENTIFICATION OF POTENTIAL DRUG TARGETS AGAINST NONSTRUCTURAL PROTEIN 1 (NSP-1) OF SARS-COV-2 THROUGH MOLECULAR DOCKING AND MOLECULAR DYNAMIC SIMULATION USING FDA APPROVED DRUGS

Since its pandemic in 2019, SARS-CoV-2 has badly affected the countries around globe. There is no FDA approved drug for treatment of disease. In this study, we evaluated potential targets against non-structural protein-1 (Nsp-1), which crucial disturbing host-translational machinery. As completecrystal structure Nsp-1 was not available, used I-TASSER making complete protein. The verified using ERRATand PROVEAN. previous studies had reported different binding sites protein, blind docking with 2225 drugsusing AutoDock Vina. Based upon residue interactions obtained from docking, selected C-terminal specific FDAapproved drugs. results, Glycyrrhizin found to be suitable showing strong interactions. We further glycyrrhizin-Nsp-1 complex by analyzing trajectory 60 ns, comparing individual RMSD analysis during and RMSF alsosuggested stability protein-ligand resulted 49 hydrogen bonds simulation process. study suggests that can act as inhibitors SARS-COV-2.