Celik_2025_J.Biochem.Mol.Toxicol_39_e70510

New 1,2,4-triazole compounds were synthesized in this study. These compounds (2,3,5,6 (a-f)) were characterized by IR, (1)H-NMR, and (13)C-NMR studies. Acarbose was used as a standard for alpha glycosidase and alpha amylase enzymes, while tacrine molecule was used as a standard for acetylcholinesterase enzyme. While the IC(50) result of acarbose was found to be 6.430 +/- 0.736, the IC(50) values for alpha-gly and alpha-amly enzymes were 1.454 +/- 0.087 microM-3.7973 +/- 0.3352 microM and 1.509 +/- 0.161 microM-3.797 +/- 0.335 microM, respectively. In addition, the IC(50) values for AChE enzyme were found to be in the range of 1.330 +/- 0.118 microM-11.104 +/- 3.463 microM. Except for molecules 5a, 5b and 5 f, all other molecules were found to be more active than the standard. Molecular docking simulations were conducted to explore the interactions of 3e and 3 f compounds with Human Acetylcholinesterase, using tacrine as a reference molecule, to evaluate binding affinities and key ligand-protein interactions.