Preparation, identification, and molecular docking of novel elastase inhibitory peptide from walnut (Juglans regia L.) meal

Yu Xiong; Peng Peng; Shi-Jia Chen; Min Chang; Qian Wang; Sheng-Nan Yin; Di-Feng Ren

Food Chemistry: Molecular Sciences (Dec 2022)

Preparation, identification, and molecular docking of novel elastase inhibitory peptide from walnut (Juglans regia L.) meal

Yu Xiong,
Peng Peng,
Shi-Jia Chen,
Min Chang,
Qian Wang,
Sheng-Nan Yin,
Di-Feng Ren

Affiliations

Yu Xiong: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Peng Peng: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Shi-Jia Chen: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Min Chang: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Qian Wang: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Sheng-Nan Yin: Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China
Di-Feng Ren: Corresponding author.; Beijing Key Laboratory of Food Processing and Safety in Forestry, Department of Food Science and Engineering, College of Biological Sciences and Biotechnology, Beijing Forestry University, 100083 Beijing, People’s Republic of China

Journal volume & issue: Vol. 5
p. 100139

Abstract

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This study aimed to isolate bioactive peptides with elastase inhibitory activity from walnut meal via ultrasonic enzymatic hydrolysis. The optimal hydrolysis conditions of walnut meal protein hydrolysates (WMPHs) were obtained by response surface methodology (RSM), while a molecular weight of<3 kDa fraction was analyzed by LC-MS/MS, and 556 peptides were identified. PyRx virtual screening and Autodock Vina molecular docking revealed that the pentapeptide Phe-Phe-Val-Pro-Phe (FFVPF) could interact with elastase primarily through hydrophobic interactions, hydrogen bonds, and π-sulfur bonds, with a binding energy of −5.22 kcal/mol. The verification results of inhibitory activity showed that FFVPF had better elastase inhibitory activity, with IC50 values of 0.469 ± 0.01 mg/mL. Furthermore, FFVPF exhibited specific stability in the gastric environment. These findings suggest that the pentapeptide FFVPF from defatted walnut meal could serve as a potential source of elastase inhibitors in the food, medical, and cosmetics industries.

Published in Food Chemistry: Molecular Sciences

ISSN: 2666-5662 (Online)
Publisher: Elsevier
Country of publisher: United Kingdom
LCC subjects: Technology: Home economics: Nutrition. Foods and food supply
Website: https://www.journals.elsevier.com/food-chemistry-molecular-sciences

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