Phenylboronic acid catalyzed synthesis of polysubstituted 1, 4-dihydropyridine derivatives as promising antioxidant agents correlated with molecular docking

Abstract

A series of polysubstituted 1,4-dihydropyridines (4a-i) were designed and developed using Ph-B(OH)2 catalyst. Further, compounds were confirmed by various spectroscopic techniques. After that all compounds were studied for molecular docking against the human peroxidase enzyme (1PRX). Results of docking revealed that many compounds exhibited low binding score. To get a reference from the docking study, all synthesized molecules were evaluated for in vitro antioxidant assay using DPPH, H2O2 and NO methods. Most of the tested compounds exhibited good to moderate inhibition. Amongst, these compounds 4a (0.150, 0.141, 0.154 µM) and 4b (0.146, 0.134, 0.149 µM) possessed more significant activity than positive control ascorbic acid