Abstract

IN SILICO DESIGN, SYNTHESIS AND ANTIMICROBIAL ACTIVITY OF QUINAZOLIN-4-ONE DERIVATIVES AS POTENTIAL MULTITARGET AGENTS.

Rajkumar Mohanta *, Liptika Mohanta, Mrityunjay Banerjee and Susant KumarSahu

Abstract

An applied simple computational technique of molinspiration andHex6.3 software are emphasized us to designing the synthetical pathway of quinazolin-4-one derivatives. The biological scoring activitywas provided by molinspiration software while the energiesminimization values(E.total values) of quinazolin-4-one derivativeswere obtained from Hex 6.3 docking soft ware by interaction of targetproteins (E.coli-3GI9, S.aureus-4AE5 and S.typhi-3FHU). As per thestandard drug protocol, the synthesized compounds (4a1-6) were foundto have highly drug likeness properties due to the highly negative E.total energies. Therefore it was observed that the both in vitro andinsilico methods parallely determined the antibacterial activity whichrevealed that the synthesized compounds quinazolin-4-one derivativesact as antibacterial agents. The Structures of synthesized quinazolin-4-ones were establishedby spectrophotometers (FT-IR, 1HNMR and MS).

Keywords: Docking study, Biological activity scoring, Synthesis of Quinazoline-4-ones derivatives and Antibacterial study.