甜叶菊（马鞭草科）制剂对 α-糖苷酶的抑制作用、迷迭香苷的定量分析及其分子对接研究。

Inhibition of α-Glycosidase by Lippia dulcis Trevir. (Verbenaceae) Preparations, Quantification of Verbascoside, and Study of Its Molecular Docking.

机构信息

Department of Agriculture, Federal University of Lavras, Lavras, Brazil; PO Box 3037, Lavras, 37200-900, Minas Gerais, Brazil.

Department of Medicine, Federal University of Lavras, Lavras, 37200-900, Minas Gerais, Brazil.

出版信息

Chem Biodivers. 2023 Feb;20(2):e202200760. doi: 10.1002/cbdv.202200760. Epub 2023 Jan 24.

DOI:10.1002/cbdv.202200760

PMID:36693786

Abstract

This study aimed to quantify verbascoside (VEB), perform molecular docking studies of VEB with the α-glucosidase (GL) of Bacillus stearothermophilus, and evaluate the inhibition of the enzyme by L. dulcis preparations. The substrate concentration and presence of reduced glutathione were evaluated for their effect on the in vitro inhibition of the GL enzyme. Assays were also performed in the presence and absence of simulated gastric fluid. The antidiabetic fractions 2 and 3 were the most inhibited GL, but their activity were significantly decreased in the presence of gastric fluid. Chromatographic analyses confirmed the predominant presence of VEB in the samples. The samples had VEB concentrations between 49.9 and 243.5 mg/g. Simulation of the molecular docking of VEB were consistent with its GL-inhibitory activity. It can conclude that the crude ethanol extract and fractions show inhibitory activity against the GL enzyme.

摘要

本研究旨在定量分析毛蕊花糖苷（VEB），并对毛蕊花糖苷与嗜热脂肪芽孢杆菌的α-葡萄糖苷酶（GL）进行分子对接研究，同时评估甜叶菊制剂对该酶的抑制作用。评估了底物浓度和还原型谷胱甘肽的存在对 GL 酶体外抑制的影响。还在存在和不存在模拟胃液的情况下进行了测定。降糖分数 2 和 3 对 GL 的抑制作用最强，但在存在胃液的情况下其活性显著降低。色谱分析证实样品中 VE 的含量较高。样品中 VE 的浓度在 49.9 至 243.5 mg/g 之间。VEB 分子对接的模拟结果与其 GL 抑制活性一致。综上所述，粗乙醇提取物及其各馏分均表现出对 GL 酶的抑制活性。