Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells
The preparation of novel antioxidant peptides from food raw materials is one of the research focuses, but there are fewer studies on the preparation of antioxidant peptides from walnut meal, a by-product of processing walnuts. This study analyzed the antioxidant properties and protective effects of...
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MDPI AG
2023-04-01
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| Series: | Foods |
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| Online Access: | https://www.mdpi.com/2304-8158/12/7/1554 |
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| author | Zijie Zhang Yuting Shang Siting Li Zhou Chen Junxia Xia Yiling Tian Yingmin Jia Aijin Ma |
| author_facet | Zijie Zhang Yuting Shang Siting Li Zhou Chen Junxia Xia Yiling Tian Yingmin Jia Aijin Ma |
| author_sort | Zijie Zhang |
| collection | DOAJ |
| description | The preparation of novel antioxidant peptides from food raw materials is one of the research focuses, but there are fewer studies on the preparation of antioxidant peptides from walnut meal, a by-product of processing walnuts. This study analyzed the antioxidant properties and protective effects of walnut protein hydrolyzed by alkaline protease and trypsin on the oxidative stress of HT22 cells. The peptides were identified by UPLC-MS/MS, and the anti-oxidative peptides were screened based on virtual computer tools. The potential anti-oxidative stress mechanism of the walnut polypeptide on HT22 cells was explored by molecular docking. The results revealed that walnut protein hydrolysates (WPH) with molecular weights of less than 1 kDa had good antioxidant properties and inhibited oxidative damage of HT22 cells by regulating the levels of reactive oxygen species (ROS) and antioxidant enzyme catalase (CAT), superoxide dismutase (SOD), and glutathione peroxidase (GSH-Px). Six of the ninety identified new peptides showed good solubility, non-toxicity, and bioactivity. The molecular docking results showed that the six peptides could dock with Keap1 successfully, and EYWNR and FQLPR (single-letter forms of peptide writing) could interact with the binding site of Nrf2 in the Keap1-Kelch structural domain through hydrogen bonds with strong binding forces. The results of this study provided important information on the antioxidant molecular mechanism of the walnut polypeptide and provided a basis for further development of walnut antioxidant polypeptide products. |
| first_indexed | 2024-03-11T05:36:29Z |
| format | Article |
| id | doaj.art-0f9fb15316244a698a84e2a5074fc0b2 |
| institution | Directory Open Access Journal |
| issn | 2304-8158 |
| language | English |
| last_indexed | 2024-03-11T05:36:29Z |
| publishDate | 2023-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Foods |
| spelling | doaj.art-0f9fb15316244a698a84e2a5074fc0b22023-11-17T16:42:52ZengMDPI AGFoods2304-81582023-04-01127155410.3390/foods12071554Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 CellsZijie Zhang0Yuting Shang1Siting Li2Zhou Chen3Junxia Xia4Yiling Tian5Yingmin Jia6Aijin Ma7School of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaSchool of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaSchool of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaSchool of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaHebei Yangyuan ZhiHui Beverage Co., Ltd., Hengshui 053000, ChinaCollege of Food Science and Technology, Hebei Agricultural University, Baoding 071000, ChinaSchool of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaSchool of Food and Health, Beijing Technology and Business University, Beijing 100048, ChinaThe preparation of novel antioxidant peptides from food raw materials is one of the research focuses, but there are fewer studies on the preparation of antioxidant peptides from walnut meal, a by-product of processing walnuts. This study analyzed the antioxidant properties and protective effects of walnut protein hydrolyzed by alkaline protease and trypsin on the oxidative stress of HT22 cells. The peptides were identified by UPLC-MS/MS, and the anti-oxidative peptides were screened based on virtual computer tools. The potential anti-oxidative stress mechanism of the walnut polypeptide on HT22 cells was explored by molecular docking. The results revealed that walnut protein hydrolysates (WPH) with molecular weights of less than 1 kDa had good antioxidant properties and inhibited oxidative damage of HT22 cells by regulating the levels of reactive oxygen species (ROS) and antioxidant enzyme catalase (CAT), superoxide dismutase (SOD), and glutathione peroxidase (GSH-Px). Six of the ninety identified new peptides showed good solubility, non-toxicity, and bioactivity. The molecular docking results showed that the six peptides could dock with Keap1 successfully, and EYWNR and FQLPR (single-letter forms of peptide writing) could interact with the binding site of Nrf2 in the Keap1-Kelch structural domain through hydrogen bonds with strong binding forces. The results of this study provided important information on the antioxidant molecular mechanism of the walnut polypeptide and provided a basis for further development of walnut antioxidant polypeptide products.https://www.mdpi.com/2304-8158/12/7/1554walnut mealpeptidemolecular dockingbioinformaticsantioxidant activitycellular |
| spellingShingle | Zijie Zhang Yuting Shang Siting Li Zhou Chen Junxia Xia Yiling Tian Yingmin Jia Aijin Ma Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells Foods walnut meal peptide molecular docking bioinformatics antioxidant activity cellular |
| title | Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells |
| title_full | Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells |
| title_fullStr | Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells |
| title_full_unstemmed | Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells |
| title_short | Molecular Docking Revealed the Potential Anti-Oxidative Stress Mechanism of the Walnut Polypeptide on HT22 Cells |
| title_sort | molecular docking revealed the potential anti oxidative stress mechanism of the walnut polypeptide on ht22 cells |
| topic | walnut meal peptide molecular docking bioinformatics antioxidant activity cellular |
| url | https://www.mdpi.com/2304-8158/12/7/1554 |
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