Exploring synergistic inhibitory mechanisms of flavonoid mixtures on α-glucosidase by experimental analysis and molecular dynamics simulation

文献类型： 外文期刊

第一作者： Pan, Junkun

作者： Pan, Junkun;Nawaz, Muhammad;Liu, Jiechao;Liu, Hui;Lv, Zhenzhen;Yang, Wenbo;Jiao, Zhonggao;Zhang, Qiang

作者机构：

关键词： Luteolin; Quercetin; O -methylquercetin; Flavonoid mixtures; Synergistic effect; alpha-Glucosidase; Molecular simulation

期刊名称：FOOD CHEMISTRY （ 影响因子：9.8； 五年影响因子：9.7 ）

ISSN： 0308-8146

年卷期： 2025 年 464 卷

页码：

收录情况： SCI

摘要： The study was the first to evaluate the synergistic interaction of luteolin + quercetin, luteolin + 3-O-methylquercetin, and quercetin + 3-O-methylquercetin mixtures on alpha-glucosidase and the binding mechanisms were explored using both experimental and theoretical approaches. The results showed that three flavonoid mixtures exhibited a mixed type of inhibition and demonstrated the most potent synergistic effects on alpha-glucosidase inhibition at 6:4 ratio, with interaction index (gamma) of 0.85, 0.78 and 0.73, respectively. The three mixtures had a great influence on alpha-glucosidase secondary structures. Molecular simulation further demonstrated that three flavonoid mixtures formed hydrophobic interactions and hydrogen bonds with amino acid residues at different sites of alpha-glucosidase. Collectively, luteolin + quercetin, luteolin + 3-O-methylquercetin and quercetin + 3-Omethylquercetin were found to inhibit alpha-glucosidase in a synergistic manner and can be potentially used for the development of hypoglycemic food products.

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