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
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
) 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,
HNMR and MS).