Synthesis, Biological Evaluation, and Computational Studies of Phenolic <i>N</i>-Acetylglucosamine Glycosides as α-Glucosidase Inhibitors.

ABSTRACT: Type 2 diabetes mellitus (T2DM) is one of the most prevalent chronic metabolic diseases, and inhibition of α-glucosidase activity represents an effective therapeutic strategy. Chitin is the most abundant renewable polysaccharide in the ocean, with its monosaccharide being N-acetylglucosamine (NAG). To evaluate the potential of NAG glycosides as novel α-glucosidase inhibitors, three common phenolic compounds were modified via NAG glycosylation. Their inhibitory activities were assessed at both the enzymatic and cellular levels. In addition, density functional theory (DFT), molecular dynamics (MD) simulations, and molecular docking analyses were employed to systematically investigate the effects of NAG glycosylation on enzyme inhibition and the underlying mechanisms. Compared with the

SUBMITTER: Wang W 

PROVIDER: S-EPMC12942185 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature