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桑叶酚类化合物抑制脂肪酶的作用机制及构效关系

Lipase Inhibition Mechanism and Structure-activity Relationship of Phenolic Compounds in Mulberry Leaves
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摘要 桑叶中酚类化合物可降低脂肪的消化吸收从而达到减肥的功效,但其与脂肪酶的相互作用机制仍有待阐明。该研究通过体外脂肪酶活性实验考察桑叶中主要的12种酚类化合物对脂肪酶的抑制作用,发现具有相同母核结构的金丝桃苷和芦丁抑制脂肪酶活性较好。采用荧光光谱分析、FT-IR分析结合分子对接模拟技术进一步研究金丝桃苷和芦丁对脂肪酶的抑制机理。荧光光谱分析表明,金丝桃苷和芦丁与脂肪酶的猝灭方式为静态猝灭作用,且在25℃和30℃时,脂肪酶与金丝桃苷的结合常数[365.79×10^(11)、136.27×10^(11)L/(mol·s)]大于与芦丁的结合常数[4.50×10^(11)、2.08×10^(11)L/(mol·s)]。FT-IR分析表明,金丝桃苷和芦丁与脂肪酶结合改变了脂肪酶的的二级结构。分子对接分析表明,金丝桃苷和芦丁通过氢键和疏水作用与脂肪酶进行结合,从而抑制酶活性,且脂肪酶与金丝桃苷的△G(-29.21 kcal/mol)小于与芦丁的△G(-20.89 kcal/mol)。该研究揭示桑叶酚类化合物对脂肪酶的抑制机理,为桑叶减肥功能食品研发奠定理论基础。 Phenolic compounds in mulberry leaves can reduce the digestion and absorption of fat to achieve weight loss;however,the mechanism of their interaction with lipase remains unclear.The inhibitory effects of 12 mulberry leaf phenolic compounds on lipase were investigated through in vitro lipase activity assays.Hyperoside and rutin,which share the same core structure,were found to have stronger inhibitory effects on lipase activity.The hyperoside and rutin inhibition mechanism on lipase was investigated using fluorescence spectrum analysis,FT-IR analysis,and molecular docking simulation.Fluorescence spectrum analysis showed that the quenching mechanism of lipase by hyperoside and rutin was static quenching.The binding constant of lipase with hyperoside at 25℃was 365.79×10^(11)L/(moL·s),and the corresponding value at 30℃was 136.27×10^(11)L/(mol·s).These values were found to be higher than those observed for rutin(4.50×10^(11)and 2.08×10^(11)L/(mol·s),respectively).FT-IR analysis revealed that the binding of hyperoside and rutin with lipase changed the secondary structure of lipase.Moreover,molecular docking analysis demonstrated that hyperoside and rutin were bound to lipase through hydrogen bonding and hydrophobic interaction,thus inhibiting lipase activity.In addition,the △G value of lipase binding with hyperoside(−29.21 kcal/mol)was lower than that of lipase binding with rutin(−20.89 kcal/mol).This study elucidated the inhibitory mechanism of phenolic compounds in mulberry leaves on lipase.These findings establish a theoretical foundation for further research and development of mulberry leaves as functional food for weight management.
作者 梅春莹 李倩 刘凡 邢东旭 邹宇晓 MEI Chunying;LI Qian;LIU Fan;XING Dongxu;ZOU Yuxiao(College of Food Science,South China Agricultural University,Guangzhou 510642,China;Sericultural&Agri-Food Research Institute,Guangdong Academy of Agricultural Sciences,Key Laboratory of Functional Foods,Ministry of Agriculture and Rural Affairs,Guangdong Key Laboratory of Agricultural Products Processing,Guangzhou 510610,China)
出处 《现代食品科技》 北大核心 2025年第9期139-147,共9页 Modern Food Science and Technology
基金 国家重点研发计划项目(2023YFD1600904) 广东省自然科学基金面上项目(2024A1515011122) 广东省现代农业产业共性关键技术研发创新团队建设项目(2024CXTD16)。
关键词 酚类化合物 脂肪酶 相互作用 分子对接 phenolic compounds lipase interaction molecular docking
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