In this study, novel triazole derivatives were designed and synthesized for potential breast cancer treatment. A series of 1,2,4-triazole compounds bearing a 2,4-difluorophenyl moiety (3a-3r) was obtained through a two-step organic synthesis process. The anticancer activities of the synthesized compounds were evaluated using the MTT assay in MCF-7 and L929 cell lines, and some derivatives (3d, 3h, 3k, 3n) exhibited selective cytotoxicity. The inhibitory effects of these compounds on the aromatase enzyme were determined and compared with those of letrozole. Molecular docking studies were performed to investigate the interactions of the most active compounds with the aromatase enzyme's active site, revealing binding energies and amino acid interactions. Finally, the ADME profiles of the lead compounds were assessed to analyze their pharmacokinetic properties. The findings suggest that the selected triazole derivatives may be promising novel candidates for aromatase inhibition in breast cancer therapy.
Çelik et al. (Sun,) studied this question.