Synthesis, <i>In Vitro</i> Anticancer Activity and <i>In Silico</i> Study of some Benzylidene Hydrazide Derivatives

Abstract

Some benzylidenehydrazides (3a-e) have been synthesized in three reaction steps from anthranilic acid in good yields, about 70% - 99%. The structures of the synthesized compounds were analyzed using spectroscopic methods. The compounds were evaluated its activity against human lung cancer, A549 cell line by MTT method and studied its molecular docking onto the protein tyrosine kinase (PDB ID: 1M17) by using Molegro® vs. 5.5. The data showed that N-(2-(2-(4-nitrobenzylidene)hydrazinecarbonyl)phenyl)benzamide (3d) which synthesized in 70% yield and has the highest activity on inhibiting the growth of A549 cell line with IC 50 10.9μg/mL, which was linier with our in silico study. Compound 3d has the smallest RS value -94.44 kcal/mol, lower than selected Ligand, Erlotinib.