Design, Synthesis, Computational Docking and Biological Evaluation of Novel 4-Chloro-1,3-Benzoxazole Derivatives as Anticancer Agents

ABSTRACT: An efficient, cost effective and ecologically safe method for the design of series novel 2-[(4-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N'-[phenylmethylidene] acetohydrazides 5(a-j) have been synthesized by fusing 2-[(4-chloro-1,3-benzoxazol-2-yl)sulfanyl] acetohydrazide with substituted aromatic aldehyde. The prepared compounds were characterized via LC-MS, IR, 1H NMR, 13C NMR C, H, N analysis technique. All evaluated biological potency, which includes antimicrobial, antifungal, antioxidant anticancer activities. 5a, 5b, 5d, 5e, 5g 5h showed appreciable MIC activity. Further, it was also noticed that prior mentioned showcased more than 70% cell viability. We performed molecular docking all examined their binding affinities to receptor 2A91 qualitatively elucidate data generated from modeling values obtained screening correlated.