Mechanisms of sesamol and sesamin inhibitingα-glucosidase activity by spectroscopy and molecular docking  

作　　者：Shijia Zhang Yiren Zhang Emad Karrar Qingzhe Jin Hui Zhang Gangcheng Wu Xingguo Wang 

机构地区：[1]State Key Laboratory of Food Science and Technology,School of Food Science and Technology,National Engineering Research Center for Functional Food,International Joint Research Laboratory for Lipid Nutrition and Safety,Collaborative Innovation Center of Food Safety and Quality Control in Jiangsu Province,Jiangnan University,China [2]International Joint Laboratory on Food Safety,Jiangnan University,China

出　　处：《Food Bioscience》2023年第3期1641-1648,共8页食品生物科学（英文）

基　　金：supported by the National Key Research and Development Project of China(2021YFD2100303).

摘　　要：Sesamol and sesamin inhibitα-glucosidase activity and may therefore be effective in treating type 2 diabetes,but their mechanisms remain unknown.Therefore,the inhibitory effects of sesamol and sesamin onα-glucosidase activity were analyzed by multispectral technique and molecular docking.Our findings indicated that the sesamol and sesamin had a significant influence onα-glucosidase activity,with IC_(50) values of 0.96 mM and 0.33 mM,respectively,and their inhibition types were non-competitive.Both sesamol and sesamin quenched the fluorescence by a static quenching mechanism.The results of three-dimensional(3D)fluorescence,circular dichroism(CD)spectroscopy and Fourier transform infrared spectrometer(FT-IR)showed that both sesamol and sesamin had certain effects on the conformation ofα-glucosidase.Molecular docking results revealed that both sesamol and sesamin could spontaneously bind toα-glucosidase and form hydrogen bonds with some of the amino acid residues of the enzyme.As a result,this study sheds new light on sesamol/sesamin as a potentialα-glucosidase inhibitor.

关 键 词：SESAMOL SESAMIN Α-GLUCOSIDASE Inhibition mechanism SPECTROSCOPY Molecular docking 

分 类 号：TS201[轻工技术与工程—食品科学]