Binding free energy (MMGBSA) of selected phytochemical molecules which shows high docking score with respective protein target was calculated using OPLS 3e force field in solvation condition of Prime module of Schrodinger suite. Prime module has been used for calculation of ∆ G bind between protein and ligand complexes . The top 5 complexes after docking were subjected to ∆ G calculations which is mentioned in Table .