Protein ligand docking was conducted using GLIDE module of Schrödinger (Release, 2018) which performs all the docking calculations using OPLS 2005 force field. A total of 2652 FDA approved drugs were screened against spike protein and main protease of SAR-CoV-2 through molecular docking approaches. The virtual screening of compounds against the target protein was conducted using two docking methodologies, initially through a rapid screening of large set of compounds using high throughput virtual screening (HTVS) method followed by further screening a subset of top scoring HTVS compounds with a more precise and accurate extra precise (XP) docking method. Protein ligand complexes were ranked using GlideScore function to predict the binding efficacy of ligands with the protein. The docked complex with the lowest docking score was selected for further molecular dynamic simulation analysis to elucidate the inhibition mechanism against SARS-CoV-2 infection.