Chemical constituents of Bauhinia brachycarpa and their inhibitory activities against α-glucosidase and pancreatic lipase.

Abstract

In this study, a phytochemical investigation of Bauhinia brachycarpa led to the isolation of 23 compounds, including three new ones: bausesquitate C (1), 5-(benzofuran-2-yl)-2,3-dimethoxyphenol (2), and its β-D-glucoside (3). In addition, 14 known compounds were reported from this species for the first time. Compound 1 exhibited moderate α-glucosidase inhibitory activity (IC50 = 5.39 ± 0.30 μM) and acted as a mixed-type inhibitor (Ki = 0.29, Kis = 21.3), with stronger affinity for the free enzyme. Its binding mode and conformational stability were further elucidated by molecular docking and molecular dynamics simulations. Among the known isolates, quercetin (8) and afzelin (12) showed moderate inhibitory activities against both α-glucosidase and pancreatic lipase. This work enriches the chemical and pharmacological knowledge of B. brachycarpa and underscores its potential as a source of multitarget enzyme inhibitors.