In Silico Study of CNS Depressant Drug

Molecular Docking has become an important component of the drug discovery process. Since first being developed in the 1980s, advancements in the power of computer hardware and the increasing number of and ease of access to small molecule and protein structures have contributed to the development of improved methods, making docking more popular in both industrial and academic settings. In this research Molecular Docking we are perform on Phenothiazine and Barbiturate by using Auto dock and Discovery Studio Software. QSAR study revealed that substitution of different electron donating or withdrawing group at different position on phenothiazine and barbiturate lead nucleus elaborate change in pharmacological activity. Molecular docking done by substituting or replacing different group at different position affected the potency of drug on addition of nitro, Scandium trihydride, Nitrogen dioxide, Benzene ring at different position where reduced the potency of phenothiazine while addition of trifluoromethyl enhance the potency phenothiazine. In barbiturate, replacement or substitution of alkyl group enhances the potency while amine, aromatic ring and carbonyl group reduces potency.