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

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 

机构地区：[1]College of Food Science and Technology,Yunnan Agricultural University,Kunming 650201,China [2]Yunnan Provincial Key Laboratory of Precision Nutrition and Personalized Food Manufacturing,Yunnan Agricultural University,Kunming 650201,China [3]Engineering Research Center of Development and Utilization of Food and Drug Homologous Resources,Ministry of Education,Yunnan Agricultural University,Kunming 650201,China [4]School of Tea and Coffee,Pu’er University,Pu’er 665000,China [5]Yunnan Provincial Engineering Research Center for Edible and Medicinal Homologous Functional Food,Yunnan Agricultural University,Kunming 650201,China [6]Key Laboratory of Pu-er Tea Science,Ministry of Education,Yunnan Agricultural University,Kunming 650201,China

出　　处：《Food Science and Human Wellness》2024年第3期1636-1644,共9页食品科学与人类健康（英文）

基　　金：supported by the Major Project of Science and Technology Department of Yunnan Province (202002AA100005 and 202102AE090027-2);the Project of Yunnan Province Food and Drug Homologous Resources Functional Food Innovation Team (A3032023057);the YEFICRC project of Yunnan provincial key programs (2019ZG009);Yunnan Province Ten Thousand Plan Industrial Technology Talents project (YNWR-CYJS-2020-010);the Yunnan Provincial Department of Science and Technology Agricultural Joint Special Project (202101BD070001-120)。

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,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 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.

关 键 词：Walnut dreg proteins Cyclooxygenase-2 inhibitory peptide IDENTIFICATION Virtual screening Molecular docking 

分 类 号：TS209[轻工技术与工程—食品科学]