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Open Access

Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis

Zishan Honga,b,c,1,, Jing Xiea,b,c,1, Liang Taoa,b,c,1, Jing-Jing Daib,d,e, Tingting Lia,b,e, Li Zhanga,c,e, Yuying Baia,b,e, Xia Hua,c,e, Jinlian Chena,b,e, Jun Shenga,f( ), Yang Tiana,b,c,d,e( )
College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, China
Yunnan Provincial Key Laboratory of Precision Nutrition and Personalized Food Manufacturing, Yunnan Agricultural University, Kunming 650201, China
Engineering Research Center of Development and Utilization of Food and Drug Homologous Resources, Ministry of Education, Yunnan Agricultural University, Kunming 650201, China
School of Tea and Coffee, Pu’er University, Pu’er 665000, China
Yunnan Provincial Engineering Research Center for Edible and Medicinal Homologous Functional Food, Yunnan Agricultural University, Kunming 650201, China
Key Laboratory of Pu-er Tea Science, Ministry of Education, Yunnan Agricultural University, Kunming 650201, China

1 These authors contributed equally to this study.

Peer review under responsibility of Tsinghua University Press.

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Highlights

• Peptides in walnut dreg proteins are efficiently released by alcalase.

• Alcalase hydrolysate (Al-WPH) inhibits cyclooxygenase-2 (COX-2) activity.

• Four novel peptides (AGFP, FPGA, LFPD, and VGFP) were identified in Al-WPH.

• AGFP, FPGA, LFPD, and VGFP showed potential COX-2 inhibitory activity.

• Walnut dreg protein is an excellent low-cost source of anti-inflammatory peptides.

Graphical Abstract

Abstract

Walnut dreg protein hydrolysates (WDPHs) exhibit a variety of biological activities, however, the cyclooxygenase-2 (COX-2) inhibitory peptide of WDPHs remain unclear. The aim of this study was to rapidly screen for such peptides in WDPHs through a combination of in silico and in vitro analysis. In total, 1262 peptide sequences were observed by nano liquid chromatography/tandem mass spectrometry (nano LC-MS/MS) and 4 novel COX-2 inhibitory peptides (AGFP, FPGA, LFPD, and VGFP) were identif ied. Enzyme kinetic data indicated that AGFP, FPGA, and LFPD displayed mixed-type COX-2 inhibition, whereas VGFP was a non-competitive inhibitor. This is mainly because the peptides form hydrogen bonds and hydrophobic interactions with residues in the COX-2 active site. These results demonstrate that computer analysis combined with in vitro evaluation allows for rapid screening of COX-2 inhibitory peptides in walnut protein dregs.

Keywords

Molecular dockingIdentificationVirtual screeningWalnut dreg proteinsCyclooxygenase-2 inhibitory peptide

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Food Science and Human Wellness
Volume 13 Issue 3,
May 2024
Pages 1636-1644
DOI: 10.26599/FSHW.2022.9250143
Cite this article:
Hong Z, Xie J, Tao L, et al. Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis. Food Science and Human Wellness, 2024, 13(3): 1636-1644. https://doi.org/10.26599/FSHW.2022.9250143

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Received: 25 December 2022
Revised: 12 January 2023
Accepted: 05 February 2023
Published: 08 February 2024
© 2024 Beijing Academy of Food Sciences. Publishing services by Tsinghua University Press.

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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