Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach
Food-derived angiotensin-I-converting enzyme (ACE)-inhibitory peptides have gained attention for their potent and safe treatment of hypertensive disorders. However, there are some limitations of conventional methods for preparing ACE-inhibitory peptides. In this study, in silico hydrolysis, the quan...
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MDPI AG
2024-03-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/29/5/1134 |
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| author | Zhizhi Yang Changrong Wang Baote Huang Yihui Chen Zhiyu Liu Hongbin Chen Jicheng Chen |
| author_facet | Zhizhi Yang Changrong Wang Baote Huang Yihui Chen Zhiyu Liu Hongbin Chen Jicheng Chen |
| author_sort | Zhizhi Yang |
| collection | DOAJ |
| description | Food-derived angiotensin-I-converting enzyme (ACE)-inhibitory peptides have gained attention for their potent and safe treatment of hypertensive disorders. However, there are some limitations of conventional methods for preparing ACE-inhibitory peptides. In this study, in silico hydrolysis, the quantitative structure–activity relationship (QSAR) model, LC-MS/MS, inhibition kinetics, and molecular docking were used to investigate the stability, hydrolyzability, in vitro activity, and inhibition mechanism of bioactive peptides during the actual hydrolysis process. Six novel ACE-inhibitory peptides were screened from the <i>Larimichthys crocea</i> protein (<i>LC</i>P) and had low IC<sub>50</sub> values (from 0.63 ± 0.09 µM to 10.26 ± 0.21 µM), which were close to the results of the QSAR model. After in vitro gastrointestinal simulated digestion activity of IPYADFK, FYEPFM and NWPWMK were found to remain almost unchanged, whereas LYDHLGK, INEMLDTK, and IHFGTTGK were affected by gastrointestinal digestion. Meanwhile, the inhibition kinetics and molecular docking results were consistent in that ACE-inhibitory peptides of different inhibition forms could effectively bind to the active or non-central active centers of ACE through hydrogen bonding. Our proposed method has better reproducibility, accuracy, and higher directivity than previous methods. This study can provide new approaches for the deep processing, identification, and preparation of <i>Larimichthys crocea</i>. |
| first_indexed | 2024-04-25T00:23:57Z |
| format | Article |
| id | doaj.art-fa6c9f1337364fca8e824f8365a6ad25 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-25T00:23:57Z |
| publishDate | 2024-03-01 |
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| series | Molecules |
| spelling | doaj.art-fa6c9f1337364fca8e824f8365a6ad252024-03-12T16:51:13ZengMDPI AGMolecules1420-30492024-03-01295113410.3390/molecules29051134Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico ApproachZhizhi Yang0Changrong Wang1Baote Huang2Yihui Chen3Zhiyu Liu4Hongbin Chen5Jicheng Chen6College of Food Science, Fujian Agriculture and Forestry University, Fuzhou 350002, ChinaCollege of Food Science, Fujian Agriculture and Forestry University, Fuzhou 350002, ChinaCollege of Food Science, Fujian Agriculture and Forestry University, Fuzhou 350002, ChinaCollege of Food Science, Fujian Agriculture and Forestry University, Fuzhou 350002, ChinaKey Laboratory of Cultivation and High-Value Utilization of Marine Organisms in Fujian Province, Fisheries Research Institute of Fujian, National Research and Development Center for Marine Fish Processing (Xiamen), Xiamen 361013, ChinaFujian Province Key Laboratory for the Development of Bioactive Material from Marine Algae, Quanzhou Normal University, Quanzhou 362000, ChinaCollege of Food Science, Fujian Agriculture and Forestry University, Fuzhou 350002, ChinaFood-derived angiotensin-I-converting enzyme (ACE)-inhibitory peptides have gained attention for their potent and safe treatment of hypertensive disorders. However, there are some limitations of conventional methods for preparing ACE-inhibitory peptides. In this study, in silico hydrolysis, the quantitative structure–activity relationship (QSAR) model, LC-MS/MS, inhibition kinetics, and molecular docking were used to investigate the stability, hydrolyzability, in vitro activity, and inhibition mechanism of bioactive peptides during the actual hydrolysis process. Six novel ACE-inhibitory peptides were screened from the <i>Larimichthys crocea</i> protein (<i>LC</i>P) and had low IC<sub>50</sub> values (from 0.63 ± 0.09 µM to 10.26 ± 0.21 µM), which were close to the results of the QSAR model. After in vitro gastrointestinal simulated digestion activity of IPYADFK, FYEPFM and NWPWMK were found to remain almost unchanged, whereas LYDHLGK, INEMLDTK, and IHFGTTGK were affected by gastrointestinal digestion. Meanwhile, the inhibition kinetics and molecular docking results were consistent in that ACE-inhibitory peptides of different inhibition forms could effectively bind to the active or non-central active centers of ACE through hydrogen bonding. Our proposed method has better reproducibility, accuracy, and higher directivity than previous methods. This study can provide new approaches for the deep processing, identification, and preparation of <i>Larimichthys crocea</i>.https://www.mdpi.com/1420-3049/29/5/1134<i>Larimichthys crocea</i>ACE-inhibitory peptidesin silicoQSARinhibitory kineticsmolecular docking |
| spellingShingle | Zhizhi Yang Changrong Wang Baote Huang Yihui Chen Zhiyu Liu Hongbin Chen Jicheng Chen Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach Molecules <i>Larimichthys crocea</i> ACE-inhibitory peptides in silico QSAR inhibitory kinetics molecular docking |
| title | Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach |
| title_full | Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach |
| title_fullStr | Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach |
| title_full_unstemmed | Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach |
| title_short | Biodirected Screening and Preparation of <i>Larimichthys crocea</i> Angiotensin-I-Converting Enzyme-Inhibitory Peptides by a Combined In Vitro and In Silico Approach |
| title_sort | biodirected screening and preparation of i larimichthys crocea i angiotensin i converting enzyme inhibitory peptides by a combined in vitro and in silico approach |
| topic | <i>Larimichthys crocea</i> ACE-inhibitory peptides in silico QSAR inhibitory kinetics molecular docking |
| url | https://www.mdpi.com/1420-3049/29/5/1134 |
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