Abstract

INSILICO MOLECULAR DOCKING STUDIES OF CHALCONE BASED TETRALONE DERIVATIVES FOR ANTIMICROBIAL ACTIVITIES

Mr. Sourav Chhabda*, Mrs. Neha Chouhan, Mrs. Aarti Nandwana, Mrs. Shikha Nagle Bhati, Mrs. Archana Tiwari, Dr. P. K. Dubey

Abstract

The increasing resistance to existing antimicrobial agent as created an urgent need of new chemo therapeutic agents. In these study a series of chalcone base tetralone derivative were evaluated for their antimicrobial potential through Insilico molecular docking against the bacterial target DNA gyrase B (PDB id – 1RA1). The design derivatives were optimized and subjected to docking analysis to evaluate their binding affinity and molecular evaluation. Compound (SC-97,SC-102 and SC-81) show superior docking score compare to reference ligand showing strong hydrogen bonding and hydrophobic interactions with key active sides. These results indicate that chalcone tetralone hybrid poses significant potential as lead candidates for further antimicrobial drug development.

Keywords: Chalcone, tetralone, Insilico studies, Antimicrobial.