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利用光谱和分子对接技术从蒲桃(Syzygium jambos(L.))中鉴定新型 -葡萄糖苷酶抑制剂。

Identification of Novel -Glucosidase Inhibitors from Syzygium jambos (L.) Using Spectroscopy and Molecular Docking.

机构信息

School of Pharmacy, Southwest Medical University, Luzhou, 646000, China.

School of Life Sciences, Jiangsu Normal University, Xuzhou, 221116, Jiangsu, China.

出版信息

Plant Foods Hum Nutr. 2024 Mar;79(1):73-82. doi: 10.1007/s11130-023-01123-0. Epub 2023 Nov 25.

Abstract

Fruits of Syzygium jambos (L.) are recognized as a "food", exhibiting significant antidiabetic activities. However, the α-glucosidase inhibition of the components from Syzygium jambos (L.) have not yet been investigated. In this study, a total of 14 compounds were isolated from Syzygium jambos (L.) Alston, eight of which showed significant inhibitory effects on α-glucosidase, with IC values in the range of 0.011-0.665 mM. Notably, compounds 1-3 (IC: 0.013, 0.011 and 0.030 mM, respectively) exhibited much stronger activity than acarbose (IC: 2.329 ± 0.109 mM). The enzyme kinetics study indicated that compound 1 was an uncompetitive inhibitor, and compounds 2-8 were mixed-type inhibitors. Moreover, the interactions between compounds and α-glucosidase were investigated by molecular docking, which further revealed that the number of olefin double bonds and 2-COOH of heptadeca-phenols had a notable effect on the α-glucosidase inhibitory activity. This study demonstrated that Syzygium jambos (L.) fruit might serve as a functional food for the prevention of diabetes mellitus.

摘要

杨桃的果实被认为是一种“食品”,具有显著的抗糖尿病活性。然而,杨桃(Syzygium jambos(L.))成分的α-葡萄糖苷酶抑制作用尚未得到研究。在本研究中,从杨桃(Syzygium jambos(L.)Alston)中分离得到了 14 种化合物,其中 8 种对α-葡萄糖苷酶表现出显著的抑制作用,IC 值在 0.011-0.665 mM 范围内。值得注意的是,化合物 1-3(IC:0.013、0.011 和 0.030 mM,分别)的活性比阿卡波糖(IC:2.329 ± 0.109 mM)强得多。酶动力学研究表明,化合物 1 是一种非竞争性抑制剂,化合物 2-8 是混合型抑制剂。此外,通过分子对接研究了化合物与α-葡萄糖苷酶之间的相互作用,进一步表明,十七烷酚中烯烃双键和 2-COOH 的数量对α-葡萄糖苷酶抑制活性有显著影响。本研究表明,杨桃果实可能可作为预防糖尿病的功能性食品。

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