The crystal structure of 5 potential target proteins EGFR kinase domain (PDB ID-2J6M), Human estrogen receptor alpha ligand-binding domain (PDB ID-3ERT), FRB fragment of mTOR (PDB ID-4DRH), Progesterone receptor (PDB ID-4OAR), NUDT5 (PDB ID-5NWH) were prepared using protein preparation wizard of Maestro. Briefly, this wizard adds hydrogen atoms, missing residues and refined loops. Also, it performs fixation of side chains and addition of disulfide bonds. Further, the PROPKA module which mimics physiological conditions was used for generation of protonation states of amino acids at pH 7.4 . After this, the protein structures were minimized using OPLS-3e force field of Schrodinger suite. The key active site amino acid residues were selected from literature and used to generate grid box for each protein target .