Synthesis, spectral analysis and in vitro anticancer activity of 1,2,3 triazole derivatives and their molecular docking studies

Abstract

Triazole derivatives are an absolutely essential class of compound they are involved in such a diverse range of pharmacological effects. In the field of medical chemistry, these nitrogen-containing heterocycles are used in the role of therapeutic medicines. The molecule with the given name was synthesized by using click chemistry (Copper-Catalyzed Azide-Alkyne Cycloaddition (CuAAC)) with 1-propargyl-6-methoxy benzimidazolone as the dipolarophile and benzylazide as the dipole. majority of the compounds showed moderate to excellent efficacy when tested for anticancer properties against several cancer cell lines. The MCF-7 cell line was the most resistant to compounds 1a and 1e, with an IC₅₀ value of 1.82 and 1.90µM respectively. In contrast, the MDA- MB-231 and HeLa cell lines responded favorably to compounds IVb, IVc, and IVd. Compound IVa was docked in the active site with EGFR as the target molecule. ¹H NMR,¹³C NMR, IR and ESI-HRMS were used to determine the structures of the newly synthesized compounds