Synthesis, biological evaluation and molecular docking studies of chromone derivatives as potential α-glucosidase inhibitors

A series of chromone derivatives were designed, synthesized, and evaluated for their alpha-glucosidase in-hibitory activity by using in vitro methods and molecular docking studies. Some new synthetic com-pounds showed excellent alpha-glucosidase inhibitory activity with IC50 values in the range from 10.9 +/- 0.29 to 146.50 +/- 0.49 mu M. Among them, compound 6m exhibited the most potent alpha-glucosidase inhibitory activity with an IC50 value of 10.9 +/- 0.29 mu M. Enzyme kinetic study demonstrated that 6m was a mixed -type inhibitor (Ki = 16.87 mu M). Circular dichroism spectra and fluorescence quenching experiments fur-ther confirmed that the secondary structure of alpha-glucosidase was changed by the binding of 6m . Molec-ular docking studies showed that the aryl groups of 6m interactions with the residues Tyr-71, Phe-157, Phe-177, and Phe-30 0 formed the CH-pi. Cell viability assay has shown that 6m exhibited low cytotoxic activity against human normal cell lines.(c) 2022 Elsevier B.V. All rights reserved.