Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss
Oncorhynchus mykiss is delicious and contains abundant flavor substances. However, few studies focused on umami peptides of O. mykiss. In the current work, umami peptides derived from O. mykiss were identified using virtual screening, molecular docking, and electronic tongue analysis. First, the O....
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Tsinghua University Press
2023-01-01
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| Series: | Food Science and Human Wellness |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2213453022001331 |
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| author | Wenzhu Zhao Lijun Su Shitong Huo Zhipeng Yu Jianrong Li Jingbo Liu |
| author_facet | Wenzhu Zhao Lijun Su Shitong Huo Zhipeng Yu Jianrong Li Jingbo Liu |
| author_sort | Wenzhu Zhao |
| collection | DOAJ |
| description | Oncorhynchus mykiss is delicious and contains abundant flavor substances. However, few studies focused on umami peptides of O. mykiss. In the current work, umami peptides derived from O. mykiss were identified using virtual screening, molecular docking, and electronic tongue analysis. First, the O. mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program. Subsequently, water-soluble and toxicity screening were performed by Innovagen and ToxinPred software, respectively. The potential peptides were docked with umami receptor T1R1/T1R3. Furthermore, taste properties of potential peptides were validated by electronic tongue. Docking results suggested that the three tetrapeptide EANK, EEAK, and EMQK could enter the binding pocket in the T1R1 cavity, wherein Arg151, Asp147, Gln52, and Arg277 may play key roles in the production of umami taste. Electronic tongue results showed that the umami value of EANK, EEAK, and EMQK were stronger than monosodium glutamate. This work provides a new insight for the screening of umami peptides in O. mykiss. |
| format | Article |
| id | doaj-art-7c91659409084e1dadc28ecf993bb9a6 |
| institution | Kabale University |
| issn | 2213-4530 |
| language | English |
| publishDate | 2023-01-01 |
| publisher | Tsinghua University Press |
| record_format | Article |
| series | Food Science and Human Wellness |
| spelling | doaj-art-7c91659409084e1dadc28ecf993bb9a62025-02-03T05:15:36ZengTsinghua University PressFood Science and Human Wellness2213-45302023-01-011218993Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykissWenzhu Zhao0Lijun Su1Shitong Huo2Zhipeng Yu3Jianrong Li4Jingbo Liu5School of Food Science and Engineering, Hainan University, Haikou 570228, ChinaCollege of Food Science and Engineering, Bohai University, Jinzhou 121013, ChinaCollege of Food Science and Engineering, Bohai University, Jinzhou 121013, ChinaSchool of Food Science and Engineering, Hainan University, Haikou 570228, China; Corresponding author at: School of Food Science and Engineering, Hainan University, Haikou 570228, China.College of Food Science and Engineering, Bohai University, Jinzhou 121013, ChinaLab of Nutrition and Functional Food, Jilin University, Changchun 130062, ChinaOncorhynchus mykiss is delicious and contains abundant flavor substances. However, few studies focused on umami peptides of O. mykiss. In the current work, umami peptides derived from O. mykiss were identified using virtual screening, molecular docking, and electronic tongue analysis. First, the O. mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program. Subsequently, water-soluble and toxicity screening were performed by Innovagen and ToxinPred software, respectively. The potential peptides were docked with umami receptor T1R1/T1R3. Furthermore, taste properties of potential peptides were validated by electronic tongue. Docking results suggested that the three tetrapeptide EANK, EEAK, and EMQK could enter the binding pocket in the T1R1 cavity, wherein Arg151, Asp147, Gln52, and Arg277 may play key roles in the production of umami taste. Electronic tongue results showed that the umami value of EANK, EEAK, and EMQK were stronger than monosodium glutamate. This work provides a new insight for the screening of umami peptides in O. mykiss.http://www.sciencedirect.com/science/article/pii/S2213453022001331Oncorhynchus mykissUmami peptidesElectronic tongueMolecular docking |
| spellingShingle | Wenzhu Zhao Lijun Su Shitong Huo Zhipeng Yu Jianrong Li Jingbo Liu Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss Food Science and Human Wellness Oncorhynchus mykiss Umami peptides Electronic tongue Molecular docking |
| title | Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss |
| title_full | Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss |
| title_fullStr | Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss |
| title_full_unstemmed | Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss |
| title_short | Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss |
| title_sort | virtual screening molecular docking and identification of umami peptides derived from oncorhynchus mykiss |
| topic | Oncorhynchus mykiss Umami peptides Electronic tongue Molecular docking |
| url | http://www.sciencedirect.com/science/article/pii/S2213453022001331 |
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