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

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