From the ancient period of drug development, where Phyto compounds were used as drugs, the advancement in this modern era of drug development mainly focuses on Artificial Intelligence and computational techniques in drug development and design. Drug synthesis has improved since the introduction of combinational chemistry, where thousands of chemical reactions can be performed simultaneously using small reaction vessels. The best one or the lead molecules from the synthesized compounds can be further tested in animals or humans for the desired biological action. Insilico screening methods can achieve this. By selecting the target receptor of the drug, several synthesized molecules from combinational chemistry can be screened, as well as unwanted compounds with no biological activity. This eliminates the need to use colossal animal testing models, which reduces cost and time. Molecular docking is an insilico method using different algorithms. The software gives results such as binding energy, type of interactions, and RMSD or RMSF, which will help predict effective, stable binding and rank different compounds based on the desired biological activity.