Design and synthesis of new triazol derivatives as aromatase enzyme inhibitors

In this thesis, novel triazole derivatives were designed and synthesized for potential application in the treatment of breast cancer. A series of 1,2,4-triazole compounds bearing a 2,4-difluorophenyl moiety (3a–3r) were obtained through a two-step organic synthesis process. The anticancer activities of the synthesized compounds were evaluated using the MTT assay on MCF-7 and L929 cell lines, and some derivatives (3d, 3h, 3k, 3n) exhibited selective cytotoxic activity. Inhibitory effects of these compounds against the aromatase enzyme were determined and compared with Letrozole. Molecular docking studies were performed to investigate the interactions of the most active compounds with the active site of the aromatase enzyme, revealing their binding energies and amino acid interactions. Finally, the ADMET profiles of the lead compounds were assessed to analyze their pharmacokinetic properties. The findings suggest that the selected triazole derivatives may serve as promising novel candidates for aromatase enzyme inhibition in breast cancer therapy.