Dataset Information

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

ABSTRACT: 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.

SUBMITTER: Xiong Y

PROVIDER: S-EPMC9574760 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature

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

Xiong Yu Y Peng Peng P Chen Shi-Jia SJ Chang Min M Wang Qian Q Yin Sheng-Nan SN Ren Di-Feng DF

Food chemistry. Molecular sciences 20221003

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 interac ...[more]

PMID: 36262383

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Dataset Information

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

Publications

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

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