Synthesis, Anticancer Evaluation, and Molecular Docking Study of 1,2,3-Triazole-Containing Hydrazones as Potential HER2 Kinase Inhibitors

Abstract

A library of 1,2,3-triazole-containing hydrazones have been synthesized via Cu(I)-mediated 1,3-di­polar cycloaddition reaction. The structures of the synthesized compounds were elucidated by NMR, mass spectrometry, and IR spectroscopy. The synthesized compounds were screened for their cytotoxicity by MTT assay against MCF-7 cancer cell line, and a number of derivatives showed good anticancer potential. In silico molecular docking study revealed good binding affinity of the synthesized compounds for the target HER2 kinase domain complexed with TAK-285 (PDB ID: 3RCD).