Design, synthesis, biological evaluation, and molecular modeling studies of pyrazole-benzofuran hybrids as new α-glucosidase inhibitor.

ABSTRACT: In this work, new derivatives of biphenyl pyrazole-benzofuran hybrids were designed, synthesized and evaluated in vitro through enzymatic assay for inhibitory effect against α-glucosidase activity. Newly identified inhibitors were found to be four to eighteen folds more active with IC₅₀ values in the range of 40.6 ± 0.2-164.3 ± 1.8 µM, as compared to the standard drug acarbose (IC₅₀ = 750.0 ± 10.0 μM). Limited Structure-activity relationship was established. A kinetic binding study indicated that most active compound 8e acted as the competitive inhibitors of α-glucosidase with K_i = 38 μM. Molecular docking has also been performed to find the interaction modes responsible for the desired inhibitory activity. As expected, all pharmacophoric features, used in

SUBMITTER: Azimi F 

PROVIDER: S-EPMC8531348 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature