Synthesis, biological evaluation and quantitative structure-activities relationship of flavonoids as vasorelaxant agents

A series of flavonoid derivatives were designed, synthesized. Their vasorelaxant activities were evaluated experimentally against rat aorta rings pretreated with phenylephrine (PE). Among them, 6-hydroxy-8-allyl-4′-chloro-flavanone 8q exhibited the highest vasodilatory activity (EC50 = 4.6 μM, Emax = 95.1%). The 3D-QSAR analysis was carried out by comparative molecular field analysis (CoMFA) method, and a statistically reliable model with good predictive power (r2 = 0.872 and qcv2 = 0.496) was established. The contour plots of CoMFA model provide a good insight into the structure-activity relationships of these compounds and may be used to design more potent flavonoids derivatives as vasorelaxant agents.

A series of flavonoid derivatives were designed, synthesized as vasorelaxant agents. Some were found to possess potent vasorelaxant activity. CoMFA analysis was carried out, and a statistically reliable QSAR model (r2 = 0.872 and q2 = 0.496) was established.Figure optionsDownload as PowerPoint slide