Spice and Beverage Research Institute, Chinese Academy of Tropical Agricultural Sciences, Wanning 571533, Hainan, China; School of Forest, Northeast Forestry University, Haerbin 150040, Heilongjiang, China; National Center of Important Tropical Crops Engineering and Technology Research, Wanning 571533, Hainan, China; Key Laboratory of Processing Suitability and Quality Control of the Special Tropical Crops of Hainan Province, Wanning 571533, Hainan, China.
Spice and Beverage Research Institute, Chinese Academy of Tropical Agricultural Sciences, Wanning 571533, Hainan, China; National Center of Important Tropical Crops Engineering and Technology Research, Wanning 571533, Hainan, China; Key Laboratory of Processing Suitability and Quality Control of the Special Tropical Crops of Hainan Province, Wanning 571533, Hainan, China.
Food Chem. 2023 Apr 16;406:135057. doi: 10.1016/j.foodchem.2022.135057. Epub 2022 Nov 25.
The structure-activity relationship and inhibitory mechanism of flavonols on α-glucosidase were studied by inhibition kinetics, multispectral study, and molecular docking. The flavonols of rutin, quercetin and kaempferol effectively inhibit the activity of α-glucosidase, among which quercetin and rutin showed the strongest and weakest inhibitory abilities, respectively. The inhibitory ability of flavonols was enhanced by hydroxylation at C3' of B ring, while it was weakened by diglycosylation at C3 of C ring. Remarkably, the quenching affinity and inhibitory ability of flavonols were inconsistent, which was different from the conclusions reported by some previous studies. This may be ascribed to the hydroxyl groups of C3' of B ring and C3 of C ring. Furthermore, three flavonols were spontaneously bound to α-glucosidase through hydrophobic interactions and hydrogen bonding, which caused the structure and hydrophobic microenvironment of α-glucosidase to change, resulting in significant inhibition of α-glucosidase by flavonols.
通过抑制动力学、多光谱研究和分子对接研究了黄酮醇对α-葡萄糖苷酶的构效关系和抑制机制。芦丁、槲皮素和山奈酚等黄酮醇有效抑制α-葡萄糖苷酶的活性，其中槲皮素和芦丁的抑制能力最强和最弱。B 环 C3'位羟基化可增强黄酮醇的抑制能力，而 C 环 C3 位二糖苷化则减弱其抑制能力。值得注意的是，黄酮醇的猝灭亲和力和抑制能力不一致，这与一些先前研究的结论不同。这可能归因于 B 环 C3'位的羟基和 C 环 C3 位。此外，三种黄酮醇通过疏水相互作用和氢键自发与α-葡萄糖苷酶结合，导致α-葡萄糖苷酶的结构和疏水性微环境发生变化，从而显著抑制α-葡萄糖苷酶。
