{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,26]],"date-time":"2026-09-26T02:46:31Z","timestamp":1790390791568,"version":"4.1.0"},"reference-count":44,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2026,2,22]],"date-time":"2026-02-22T00:00:00Z","timestamp":1771718400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,2,22]],"date-time":"2026-02-22T00:00:00Z","timestamp":1771718400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["scijournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Sci Food Agric"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec>\n                    <jats:title>Background<\/jats:title>\n                    <jats:p>Yesso scallop contains many bioactive peptides and may serve as a promising source of sweet\u2010enhancing peptides. The objective of the present work was to screen sweet\u2010enhancing peptides using virtual screening, molecular simulation, and sensory evaluation.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      Two structural models of the sweet taste receptor T1R2\/T1R3 were constructed using AlphaFold2\u2010multimer (AFM\u2010T1R2\/T1R3) and Swiss Model (SM\u2010T1R2\/T1R3). Based on a comprehensive evaluation of HADDOCK scores and conformational stability, the AFM\u2010T1R2\/T1R3 model demonstrated significantly superior molecular docking performance compared to the SM\u2010T1R2\/T1R3 model. Through virtual screening, 28 candidate peptides were obtained, from which three peptides (EGF, NCW, and ADM) with sweet\u2010enhancing activity were finally selected after combining molecular docking and\n                      <jats:italic>in vitro<\/jats:italic>\n                      validation. E\u2010tongue analysis showed that ADM exhibited the strongest sweetness, while sensory evaluation indicated that NCW had the most pronounced sweet\u2010enhancing effect, and EGF possessed the lowest sweetness perception threshold (0.40\u2009mmol\u2009L\n                      <jats:sup>\u22121<\/jats:sup>\n                      ). Quantum chemical calculations confirmed the sweet\u2010enhancing activity order as NCW\u2009&gt;\u2009ADM\u2009&gt;\u2009EGF, with Trp, Glu, and Ala identified as key active residues mediating peptide\u2013receptor interactions. Molecular dynamics simulations revealed that the complexes formed by NCW and ADM with T1R2\/T1R3 exhibited high stability and tight binding, with root\u2010mean\u2010square deviation fluctuations of around 0.2\u2009nm. Combined with hydrogen bond and radius of gyration results, NCW demonstrated superior binding characteristics.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusion<\/jats:title>\n                    <jats:p>This study successfully applied the AlphaFold2\u2010multimer model integrated with molecular simulation techniques to virtually screen and elucidate the molecular interaction mechanisms of potential sweet\u2010enhancing peptides. This work provides a theoretical foundation for the further development of yesso scallop\u2010derived sweet\u2010enhancing peptides. \u00a9 2026 Society of Chemical Industry.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/jsfa.70529","type":"journal-article","created":{"date-parts":[[2026,2,23]],"date-time":"2026-02-23T04:11:52Z","timestamp":1771819912000},"page":"4406-4416","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Identification of novel sweet\u2010enhancing peptides from yesso scallop (\n                    <scp>\n                      <i>Mizuhopecten yessoensis<\/i>\n                    <\/scp>\n                    ) based on\n                    <scp>AlphaFold2<\/scp>\n                    \u2010multimer modeling, molecular simulation, and quantum chemistry"],"prefix":"10.1002","volume":"106","author":[{"given":"Junjie","family":"Du","sequence":"first","affiliation":[{"name":"College of Food Science and Engineering, Bohai University, National &amp; Local Joint Engineering Research Center of Storage, Processing and Safety Control Technology for Fresh Agricultural and Aquatic Products  Jinzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongwei","family":"Luan","sequence":"additional","affiliation":[{"name":"College of Food Science and Engineering, Bohai University, National &amp; Local Joint Engineering Research Center of Storage, Processing and Safety Control Technology for Fresh Agricultural and Aquatic Products  Jinzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Han","family":"Li","sequence":"additional","affiliation":[{"name":"College of Food Science and Engineering, Bohai University, National &amp; Local Joint Engineering Research Center of Storage, Processing and Safety Control Technology for Fresh Agricultural and Aquatic Products  Jinzhou 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