金雀异黄素对α-葡萄糖苷酶活性的抑制作用：动力学和分子对接研究。

Inhibitory Effect of Fisetin on α-Glucosidase Activity: Kinetic and Molecular Docking Studies.

机构信息

Jiangxi Key Laboratory of Natural Products and Functional Food, College of Food Science and Engineering, Jiangxi Agricultural University, Nanchang 330045, China.

The Laboratory for Phytochemistry and Plant-Derived Pesticides, College of Agriculture, Jiangxi Agricultural University, Nanchang 330045, China.

出版信息

Molecules. 2021 Aug 31;26(17):5306. doi: 10.3390/molecules26175306.

The inhibition of α-glucosidase is a clinical strategy for the treatment of type 2 diabetes mellitus (T2DM), and many natural plant ingredients have been reported to be effective in alleviating hyperglycemia by inhibiting α-glucosidase. In this study, the α-glucosidase inhibitory activity of fisetin extracted from Scop. was evaluated in vitro. The results showed that fisetin exhibited strong inhibitory activity with an IC value of 4.099 × 10 mM. Enzyme kinetic analysis revealed that fisetin is a non-competitive inhibitor of α-glucosidase, with an inhibition constant value of 0.01065 ± 0.003255 mM. Moreover, fluorescence spectrometric measurements indicated the presence of only one binding site between fisetin and α-glucosidase, with a binding constant (lgKa) of 5.896 L·mol. Further molecular docking studies were performed to evaluate the interaction of fisetin with several residues close to the inactive site of α-glucosidase. These studies showed that the structure of the complex was maintained by Pi-Sigma and Pi-Pi stacked interactions. These findings illustrate that fisetin extracted from Scop. is a promising therapeutic agent for the treatment of T2DM.

α-葡萄糖苷酶抑制作用是治疗 2 型糖尿病（T2DM）的一种临床策略，许多天然植物成分已被报道通过抑制α-葡萄糖苷酶来有效缓解高血糖。在这项研究中，评估了从 Scop. 中提取的非瑟酮对α-葡萄糖苷酶的抑制活性。结果表明，非瑟酮表现出很强的抑制活性，IC 值为 4.099×10 mM。酶动力学分析表明，非瑟酮是α-葡萄糖苷酶的非竞争性抑制剂，抑制常数（Ki）值为 0.01065±0.003255 mM。此外，荧光光谱测量表明，非瑟酮与α-葡萄糖苷酶之间只有一个结合位点，结合常数（lgKa）为 5.896 L·mol。进一步进行分子对接研究以评估非瑟酮与靠近α-葡萄糖苷酶无活性部位的几个残基的相互作用。这些研究表明，通过 Pi-Sigma 和 Pi-Pi 堆积相互作用维持了复合物的结构。这些发现表明，从 Scop. 中提取的非瑟酮是治疗 T2DM 的一种很有前途的治疗剂。