The in-silico means “performed on the computer” by creating a virtual environment within the computer using the software. These drugs designing software play a significant job in designing new drugs in the field of pharmaceuticals. These programs and software have been engaged in gene sequencing, molecular modeling, and in assessing the three-dimensional (3D) structure of drug candidates, which can further be used in drug designing, formulation, and development. Drug development and discovery is an extensive, authoritative, potential, and an interdisciplinary system but is of complex and time-consuming process. The substantial impetus toward the practice of in-silico studies and molecular docking has been increased for computer-aided drug design [1]. There are many aspects that are responsible for its failure may be due to some side effects, less efficacy, or poor pharmacokinetics. The in-silico drug design requires skills from different fields like structural and molecular biology, nanotechnology, biochemistry, biophysics, and computational scientist. The major objective is to implement research projects for discovering new compounds with desired therapeutic effect [2, 3]. The process of drug discovery involves different steps which are given as below: