In silico computational protein-Ligand docking has become an important tool for drug discovery and development and is generally initiated with structure identification of known target protein molecules of medical interest. Molecular docking is then used to predict protein interactions with candidate small molecules (ligands) according to conformations and binding free energies, Which are expressed as ligands-protein binding forces in kilocalories per mole (kcal/mole) .As a direct and rational approach for drug discovery , and computational docking analysis establish virtual models of ligand-protein interactions at the atomic level and can be used to inform subsequent validation using traditional in vitro and in viva assays, thus minimizing the time and cost of the drug discovery process .VS, an in-silico HTS method, consists of virtually placing (docking) collections of millions of compounds into a biological target . Thus in basic requirements for VS are: