Article Publish Status: FREE
Abstract Title:

Interaction Mechanism of Flavonoids andα-Glucosidase: Experimental and Molecular Modelling Studies.

Abstract Source:

Foods. 2019 Aug 21 ;8(9). Epub 2019 Aug 21. PMID: 31438605

Abstract Author(s):

Chengyun He, Xiaoling Liu, Zhaojing Jiang, Sheng Geng, Hanjun Ma, Benguo Liu

Article Affiliation:

Chengyun He


Flavonoids are known to play a role in hypoglycemia by inhibitingα-glucosidase. However, their interaction mechanism with α-glucosidase still needs to be elaborated. In this study, the α-glucosidase inhibitory activities of 15 flavonoids were investigated. Their molecular volume had a negative effect on inhibitory activity, while the number of phenolic hydroxyl groups on the B ring was positively correlated with inhibitory activity. To explain the significant differences in activity, the interaction behaviors of myricetin and dihydromyricetin, which have similar structures, were compared by spectrofluorimetry, molecular docking, and the independent gradient model (IGM). In the fluorescence analysis, myricetin exhibited a higher binding capacity. Based on molecular docking and IGM analysis, their non-covalent interactions with α-glucosidase could be visualized and quantified. It was found that they had different binding modes with the enzymes and that myricetin possessed stronger hydrogen bonding and van der Waals force interactions, which explained the thermodynamic results.

Study Type : In Vitro Study

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