Two new sesquiterpenol caffeates from Bauhinia brychycarpa Wall. ex Benth. and their α-glucosidase inhibitory activity

Abstract

Two new sesquiterpenol caffeates, bausesquitate A (1) and bausesquitate B (2), were isolated from the stems and leaves of Bauhinia brychycarpa. Structures of two compounds were confirmed by UV, IR, HR-ESI-MS, 1D and 2D NMR, ECD spectra and DP4+ probability analysis. In vitro, compounds 1 and 2 showed better inhibitory effect on α-glucosidase than acarbose (IC₅₀ = 280.50 ± 6.27 μM) with the IC₅₀ values of 1.81 ± 0.12 μM and 3.79 ± 0.27 μM. Additionally, molecular docking and molecular dynamics simulation were performed to analyze the potential binding sites.

Keywords: Bauhinia brychycarpa Wall. ex Benth.; DP4+; ECD calculation; Sesquiterpenol caffeate; α-Glucosidase inhibitory activity.