Abstract

SYNTHESIS, CHARACTERIZATION AND MOLECULAR DOCKING SIMULATION OF DISUBSTITUTED 1,3,4-OXADIAZOLE DERIVATIVES FOR ANTIBACTERIAL STUDIES

Dr.Shashidhar Kerur*, Dr. Kallangouda Alagawadi, Dr. Hailiang zhu and Dr. Fakkirappa Manvi

ABSTRACT

In the present study, synthesis and antimicrobial activity of 2,5-disubstituted 1,3,4-oxadiazole derivatives 5a-f are described. The structures of the newly synthesized compounds were confirmed by FTIR, 1H NMR, 13C NMR, mass and elemental analysis. All compounds were screened for antitubercular and antimicrobial activity. Molecular modeling studies were performed to dock compounds into the ecKAS III binding site, which suggested probable inhibition mechanism. The results revealed that most of the compounds showed high to moderate biological activity against tested microorganisms

Keywords: Antitubercular, Antimicrobial, Oxadiazole, Molecular Docking and Phenacyl bromide.