文献类型：期刊文献

英文题名：Α-Glucosidase Inhibition Activity and Mechanism of Phenolic Compounds Extracted from Gleditsia Sinensis Lam

作者：Liu, Yong[1] Deng, Yejun[1] Wang, Xiang[1] Zhang, Caihong[1,2] Liu, Lujie[1] Zhang, Yuechao[1] Huang, Lixin[1,2] Xie, Pujun[1,2]

第一作者：Liu, Yong

机构：[1] Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory on Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Jiangsu Province, Nanjing, 210042, China; [2] Co-Innovation Center of Efficient Processing, Utilization of Forest Resources, Nanjing Forestry University, Nanjing, 210037, China

年份：2024

外文期刊名：SSRN

收录：EI(收录号：20240480490)

语种：英文

外文关键词：Amino acids - Metabolites - Methyl ester - Molecular dynamics

摘要：Inhibiting α-glucosidase activity by secondary metabolites has been confirmed as an effective strategy for treating type 2 diabetes mellitus (T2DM). α-Glucosidase inhibitory activity was determined by different parts of Gleditsia sinensis Lam. (GSL) extracts. The thorn of GSL MeOH extract exhibited the highest activity (IC50=0.21 mg/mL). Eleven potential α-glucosidase inhibitors were detected by UPLC-ESI-Q-TOF-MS, and fisetin was screened as the dominant compound (IC50=0.211 μM) through virtual screening, correlation analysis, and inhibitory assay. Molecular kinetics and thermodynamics represent fisetin inhibited α-glucosidase through hydrogen bonds and hydrophobic force in a reversible and non-competitive mode. Three-dimensional fluorescence and circular dichroism demonstrate fisetin modified the amino acids’ microenvironment, disrupted the hydrogen-bonded network of α-glucosidase. α-Glucosidase was bounded with fisetin by hydrogen (Thr448, His515, Asp346, and Gln531) and hydrophobic residues (His515, Lys352, and Ala349) simulated by molecular docking. This study indicates that fisetin is a promising natural ingredient in T2DM treatment. ? 2024, The Authors. All rights reserved.