Characterization of xanthine oxidase inhibitory activities of phenols from pickled radish with molecular simulation

Xiaoze Liu; Daren Wu; Jingwen Liu; Guiling Li; Zhengxiao Zhang; Chaoxiang Chen; Lingyu Zhang; Jian Li

Food Chemistry: X (Jun 2022)

Characterization of xanthine oxidase inhibitory activities of phenols from pickled radish with molecular simulation

Xiaoze Liu,
Daren Wu,
Jingwen Liu,
Guiling Li,
Zhengxiao Zhang,
Chaoxiang Chen,
Lingyu Zhang,
Jian Li

Affiliations

Xiaoze Liu: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China
Daren Wu: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China
Jingwen Liu: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China
Guiling Li: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China
Zhengxiao Zhang: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China
Chaoxiang Chen: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China
Lingyu Zhang: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China; Corresponding authors at: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China.
Jian Li: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Engineering Technology Research Center of Marine Functional Food, Xiamen 361021, China; Corresponding authors at: College of Food and Biological Engineering, Jimei University, Xiamen 361021, China.

Journal volume & issue: Vol. 14
p. 100343

Abstract

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Pickled radish is a general source of natural bioactive compounds that include phenols. Here, we used molecular docking, fluorescence quenching, circular dichroism spectroscopy and molecular dynamics simulations to identify potential inhibitors against xanthine oxidase from a library of pickled radish compounds. The most effective compounds were selected for validation through in vitro experiments including enzyme activity inhibition tests, and cell-based assays. Molecular docking results revealed that 2,6-Dihydroxyacetophenone, 4-Hydroxyphenethyl alcohol, and 4-Hydroxybenzaldehyde exhibited significant effects on xanthine oxidase inhibition. Three phenols have varying degrees of inhibition on xanthine oxidase, which is driven by hydrophobic interactions and hydrogen bonds and affects the secondary structure and hydrophobic homeostasis of xanthine oxidase. The stability of xanthine oxidase inhibition by three phenols was analyzed by molecular dynamics simulation. Finally, cellular experiments confirmed that three phenols reduced uric acid levels by inhibiting the xanthine oxidase enzyme activity of BRL 3A cells.

Published in Food Chemistry: X

ISSN: 2590-1575 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Technology: Home economics: Nutrition. Foods and food supply; Technology: Chemical technology: Food processing and manufacture
Website: https://www.journals.elsevier.com/food-chemistry-x

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