Screening of xanthine oxidase inhibitory peptides by ligand fishing and molecular docking technology

作     者：Fangchao Cui Liqing Xi Guiqin Zhao Dangfeng Wang Xiqian Tan Jianrong Li Tingting Li 

作者机构：College of Food Science and TechnologyBohai UniversityNational&Local Joint Engineering Research Center of StorageProcessing and Safety Control Technology for Fresh Agricultural and Aquatic ProductsJinzhouLiaoning121013China Key Laboratory of Biotechnology and Bioresources Utilization (Dalian Minzu University)Ministry of EducationDalianLiaoning116029China College of Food Science and TechnologyJiangnan UniversityWuxiJiangsu214122China 

出 版 物：《Food Bioscience》 (食品生物科学（英文）)

年 卷 期：2022年第50卷第6期

页      面：1653-1663页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by the National Key Research and Development Program of China(2019YFD0901702) the Doctoral Startup Fund of Natural Science Foundation Program of Liaoning Province(2022-BS-301) the Basic Scientific Research Project of Education Department of Liaoning Province(Youth Project)(LJKQZ2021134) 

主　　题：Ligand fishing Xanthine oxidase Inhibitory peptide Molecular docking High-value utilization 

摘      要：Gout, as the second major metabolic disease after cardiovascular disease. Peptides have the advantages of natural and no side effects in the treatment and prevention of gout. This study aimed to screen xanthine oxidase (XOD) inhibitory peptides from Scophthalmus maximus protein as a drug basis for the treatment of gout. The specific results are as follows: Immobilization of xanthine oxidase 25.564 μg/mg by modified magnetic beads, and modified magnetic beads can be reused three times. Three decapeptides (FSLVHYAGTV, FTNEKLQQFF and WDDMEKIWHH) were screened, the IC50 were 3.741, 4.046 and 2.203 mg/mL. Circular dichroism and three-dimensional fluorescence spectra showed that the inhibitory peptide would change the helical structure of XOD and the internal hydrophobic environment. Molecular docking showed that the inhibitory effect of inhibitory peptides depends on the number of unique amino acid residues in the active center of XOD enzyme. In conclusion, this study provides a method for screening anti-gout peptides, which not only solves the problem of treating gout, but also realizes the high-value utilization of marine products. In addition, this method has substantial application value because of its low cost and simple operation.