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Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis
来源:导入 阅读量: 172 发表时间: 2024-03-12
作者: Zishan Hong, Jing Xie, Liang Tao, Jing-Jing Dai, Tingting Li, Li Zhang, Yuying Bai, Xia Hu, Jinlian Chen, Jun Sheng, Yang Tian
关键词: Walnut dreg proteins; Cyclooxygenase-2 inhibitory peptide; Identification; Virtual screening; Molecular docking
摘要:

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, 1 262 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 identified. 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.

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