{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T18:19:27Z","timestamp":1790619567761,"version":"4.1.0"},"reference-count":50,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2024,2,16]],"date-time":"2024-02-16T00:00:00Z","timestamp":1708041600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["FJHJF-L-2022-1"],"award-info":[{"award-number":["FJHJF-L-2022-1"]}]},{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["2021FJSC2Y03"],"award-info":[{"award-number":["2021FJSC2Y03"]}]},{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["FJHJF-L-2022-9"],"award-info":[{"award-number":["FJHJF-L-2022-9"]}]},{"name":"Seed Industry Innovation and Industrialization Project of Fujian Province","award":["FJHJF-L-2022-1"],"award-info":[{"award-number":["FJHJF-L-2022-1"]}]},{"name":"Seed Industry Innovation and Industrialization Project of Fujian Province","award":["2021FJSC2Y03"],"award-info":[{"award-number":["2021FJSC2Y03"]}]},{"name":"Seed Industry Innovation and Industrialization Project of Fujian Province","award":["FJHJF-L-2022-9"],"award-info":[{"award-number":["FJHJF-L-2022-9"]}]},{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["FJHJF-L-2022-1"],"award-info":[{"award-number":["FJHJF-L-2022-1"]}]},{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["2021FJSC2Y03"],"award-info":[{"award-number":["2021FJSC2Y03"]}]},{"name":"Fujian Province Marine Economy Development Special Fund Project","award":["FJHJF-L-2022-9"],"award-info":[{"award-number":["FJHJF-L-2022-9"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Marine Drugs"],"abstract":"<jats:p>Protein hydrolysates from sea cucumber (Apostichopus japonicus) gonads are rich in active materials with remarkable angiotensin-converting enzyme (ACE) inhibitory activity. Alcalase was used to hydrolyze sea cucumber gonads, and the hydrolysate was separated by the ultrafiltration membrane to produce a low-molecular-weight peptide component (less than 3 kDa) with good ACE inhibitory activity. The peptide component (less than 3 kDa) was isolated and purified using a combination method of ACE gel affinity chromatography and reverse high-performance liquid chromatography. The purified fractions were identified by liquid chromatography\u2013tandem mass spectrometry (LC\u2013MS\/MS), and the resulting products were filtered using structure-based virtual screening (SBVS) to obtain 20 peptides. Of those, three noncompetitive inhibitory peptides (DDQIHIF with an IC50 value of 333.5 \u03bcmol\u00b7L\u22121, HDWWKER with an IC50 value of 583.6 \u03bcmol\u00b7L\u22121, and THDWWKER with an IC50 value of 1291.8 \u03bcmol\u00b7L\u22121) were further investigated based on their favorable pharmacochemical properties and ACE inhibitory activity. Molecular docking studies indicated that the three peptides were entirely enclosed within the ACE protein cavity, improving the overall stability of the complex through interaction forces with the ACE active site. The total free binding energies (\u0394Gtotal) for DDQIHIF, HDWWKER, and THDWWKER were \u221221.9 Kcal\u00b7mol\u22121, \u221271.6 Kcal\u00b7mol\u22121, and \u221269.1 Kcal\u00b7mol\u22121, respectively. Furthermore, a short-term assay of antihypertensive activity in spontaneously hypertensive rats (SHRs) revealed that HDWWKER could significantly decrease the systolic blood pressure (SBP) of SHRs after intravenous administration. The results showed that based on the better antihypertensive activity of the peptide in SHRs, the feasibility of targeted affinity purification and computer-aided drug discovery (CADD) for the efficient screening and preparation of ACE inhibitory peptide was verified, which provided a new idea of modern drug development method for clinical use.<\/jats:p>","DOI":"10.3390\/md22020090","type":"journal-article","created":{"date-parts":[[2024,2,16]],"date-time":"2024-02-16T06:00:25Z","timestamp":1708063225000},"page":"90","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Targeted Affinity Purification and Mechanism of Action of Angiotensin-Converting Enzyme (ACE) Inhibitory Peptides from Sea Cucumber Gonads"],"prefix":"10.3390","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-5886-3357","authenticated-orcid":false,"given":"Yangduo","family":"Wang","sequence":"first","affiliation":[{"name":"College of Food Sciences and Technology, Shanghai Ocean University, Shanghai 202206, China"},{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shicheng","family":"Chen","sequence":"additional","affiliation":[{"name":"Medical Laboratory Sciences Program, College of Health and Human Sciences, Northern Illinois University, DeKalb, IL 60015, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenzheng","family":"Shi","sequence":"additional","affiliation":[{"name":"College of Food Sciences and Technology, Shanghai Ocean University, Shanghai 202206, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuji","family":"Liu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoting","family":"Chen","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6182-6058","authenticated-orcid":false,"given":"Nan","family":"Pan","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoyan","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yongchang","family":"Su","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhiyu","family":"Liu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms, Fisheries Research Institute of Fujian, Xiamen 361013, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,2,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1016\/j.foodchem.2009.04.086","article-title":"A novel angiotensin I converting enzyme inhibitory peptide from tuna frame protein hydrolysate and its antihypertensive effect in spontaneously hypertensive rats","volume":"118","author":"Lee","year":"2010","journal-title":"Food Chem."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1016\/j.tifs.2017.07.011","article-title":"Revisiting the mechanisms of ACE inhibitory peptides from food proteins","volume":"69","author":"Wu","year":"2017","journal-title":"Trends Food Sci. 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