Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis
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 t...
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| Format: | Article |
| Language: | English |
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Tsinghua University Press
2024-05-01
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| Series: | Food Science and Human Wellness |
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| Online Access: | https://www.sciopen.com/article/10.26599/FSHW.2022.9250143 |
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| author | Zishan Hong Jing Xie Liang Tao Jing-Jing Dai Tingting Li Li Zhang Yuying Bai Xia Hu Jinlian Chen Jun Sheng Yang Tian |
| author_facet | Zishan Hong Jing Xie Liang Tao Jing-Jing Dai Tingting Li Li Zhang Yuying Bai Xia Hu Jinlian Chen Jun Sheng Yang Tian |
| author_sort | Zishan Hong |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-85bbba1449e94e87a552382923e7037d |
| institution | Kabale University |
| issn | 2097-0765 2213-4530 |
| language | English |
| publishDate | 2024-05-01 |
| publisher | Tsinghua University Press |
| record_format | Article |
| series | Food Science and Human Wellness |
| spelling | doaj-art-85bbba1449e94e87a552382923e7037d2025-01-10T06:54:23ZengTsinghua University PressFood Science and Human Wellness2097-07652213-45302024-05-011331636164410.26599/FSHW.2022.9250143Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysisZishan Hong0Jing Xie1Liang Tao2Jing-Jing Dai3Tingting Li4Li Zhang5Yuying Bai6Xia Hu7Jinlian Chen8Jun Sheng9Yang Tian10College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaYunnan Provincial Key Laboratory of Precision Nutrition and Personalized Food Manufacturing, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, ChinaWalnut 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.https://www.sciopen.com/article/10.26599/FSHW.2022.9250143walnut dreg proteinscyclooxygenase-2 inhibitory peptideidentificationvirtual screeningmolecular docking |
| spellingShingle | Zishan Hong Jing Xie Liang Tao Jing-Jing Dai Tingting Li Li Zhang Yuying Bai Xia Hu Jinlian Chen Jun Sheng Yang Tian Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis Food Science and Human Wellness walnut dreg proteins cyclooxygenase-2 inhibitory peptide identification virtual screening molecular docking |
| title | Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| title_full | Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| title_fullStr | Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| title_full_unstemmed | Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| title_short | Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| title_sort | exploration of cyclooxygenase 2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis |
| topic | walnut dreg proteins cyclooxygenase-2 inhibitory peptide identification virtual screening molecular docking |
| url | https://www.sciopen.com/article/10.26599/FSHW.2022.9250143 |
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