Recent advancement in the field of computational biology enables researchers not only to screen the specific drug molecules but also provide platform to design drug that selectively interact with the target protein responsible for the progression of cancer. Molecular docking is a powerful computational tool for structure-based drug discovery . In silico prediction, characterization, molecular docking, and dynamic studies on natural compound or chemical as a novel target for searching potential of drugs against disease is most common nowadays. With the help of this, the binding affinity between drugs and targets at the atomic level can be determined along with the significant information of pharmacological properties of specific drugs. Integration of molecular docking and In vitro studies for discovery of drugs for breast cancer has shown promising results . The anti-cancer potential of several compounds were studied using molecular docking method for instance 2',4'-dihydroxy-6-methoxy-3,5-dimethylchalcone (ChalcEA) ,