Integrated in vitro and in silico evaluations of novel benzanilide derivatives as anticancer agents

Abstract

AIMS: This study aimed to design, synthesize, and evaluate novel benzanilide derivatives as potential anticancer agents targeting VEGFR-2-mediated tumor angiogenesis. MATERIALS AND METHODS: ) were synthesized and structurally confirmed using spectroscopic methods. The compounds were evaluated via molecular docking, in silico ADMET profiling, in vitro cytotoxicity against MCF-7, MDA-MB-231, HepG-2, and HCT-116 cancer cell lines, and selectivity assessment using WI-38 and WISH normal cell lines. VEGFR-2 enzyme inhibition was also determined for the most active compound. RESULTS: = 0.414 µM) superior to sorafenib (0.809 µM). Mechanistic studies indicated activation of apoptosis via upregulation of Bax, Caspase-3, and Caspase-8 and downregulation of Bcl-2. ADMET results revealed favorable pharmacokinetic properties and acceptable safety profiles. CONCLUSIONS: represents a promising VEGFR-2 inhibitor with potent anticancer activity and favorable drug-like properties, warranting further optimization and development.