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Research Article | Open Access

Identification of egg protein-derived peptides as xanthine oxidase inhibitors: virtual hydrolysis, molecular docking, and in vitro activity evaluation

Zhipeng Yua, Yaxin Caob, Ruotong Kanb, Huizhuo Jib, Wenzhu Zhaoa( ), Sijia Wuc, Jingbo Liuc, David Shiuand
School of Food Science and Engineering, Hainan University, Haikou 570228, China
College of Food Science and Engineering, Bohai University, Jinzhou 121013, China
Lab of Nutrition and Functional Food, Jilin University, Changchun 130062, China
Institute of Drug Discovery Technology, Ningbo University, Ningbo 315211, China

Peer review under responsibility of KeAi Communications Co., Ltd.

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Abstract

The purpose of this study was to screen the xanthine oxidase (XO) inhibitory peptides from egg white proteins through virtual hydrolysis, in vitro activity validation, and molecular docking. The results demonstrated that tripeptide EEK from ovalbumin exhibited potent XO inhibitory activity with an IC50 value of 141 µmol/L. The molecular docking results showed that tripeptide EEK bound with the active center of XO via 3 carbon hydrogen bond interactions, 2 salt bridges, 5 conventional hydrogen bond interactions, and 4 attractive charge interactions. The residues Glu802, Phe1009, and Arg880 may play key roles in the XO catalytic reaction. Especially, the key intermolecular forces of inhibiting XO activity may be special type of hydrogen bonds including carbon hydrogen bond interactions and attraction charge interactions. The novel tripeptide EEK is potential candidates for controlling hyperuricemia.

Keywords

Molecular dockingHyperuricemiaEgg protein-derived peptidesInhibitor mechanismXanthine oxidase

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Food Science and Human Wellness
Volume 11 Issue 6,
November 2022
Pages 1591-1597
DOI: 10.1016/j.fshw.2022.06.017
Cite this article:
Yu Z, Cao Y, Kan R, et al. Identification of egg protein-derived peptides as xanthine oxidase inhibitors: virtual hydrolysis, molecular docking, and in vitro activity evaluation. Food Science and Human Wellness, 2022, 11(6): 1591-1597. https://doi.org/10.1016/j.fshw.2022.06.017

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Received: 02 April 2021
Revised: 31 May 2021
Accepted: 05 September 2021
Published: 18 July 2022
© 2022 Beijing Academy of Food Sciences.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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