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Paper Details

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

Rajkumar Mohanta*, Liptika Mohanta, Mrityunjay Banerjee and Susant Kumar Sahu

Journal Title:World Journal of Pharmaceutical Research
Abstract


An applied simple computational technique of molinspiration and Hex6.3 software are emphasized us to designing the synthetical path way of quinazolin-4-one derivatives. The biological scoring activity was provided by molinspiration software while the energies minimization values(E.total values) of quinazolin-4-one derivatives were obtained from Hex 6.3 docking soft ware by interaction of target proteins (E.coli-3GI9, S.aureus-4AE5 and S.typhi-3FHU). As per the standard drug protocol, the synthesized compounds (4a 1-6 ) were found to have highly drug likeness properties due to the highly negative E. total energies. Therefore it was observed that the both in vitro and insilico methods parallely determined the antibacterial activity which revealed that the synthesized compounds quinazolin-4-one derivatives act as antibacterial agents. The Structures of synthesized quinazolin-4-ones were established by spectrophotometers (FT-IR, 1 HNMR and MS).

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