{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,28]],"date-time":"2026-03-28T07:23:25Z","timestamp":1774682605201,"version":"3.50.1"},"reference-count":44,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2017,4,27]],"date-time":"2017-04-27T00:00:00Z","timestamp":1493251200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["20903026"],"award-info":[{"award-number":["20903026"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecular Informatics"],"published-print":{"date-parts":[[2017,9]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>3D\u2010QSAR, molecular docking and activity evaluation were used to study the bioactivities of ACE\u2010inhibitory peptides with phenylalanine C\u2010terminus. Both CoMFA (<jats:italic>Q<\/jats:italic><jats:sup>2<\/jats:sup>=0.773, <jats:italic>R<\/jats:italic><jats:sup>2<\/jats:sup>=0.992) and CoMSIA (<jats:italic>Q<\/jats:italic><jats:sup>2<\/jats:sup>=0.664, <jats:italic>R<\/jats:italic><jats:sup>2<\/jats:sup>=0.990) models were constructed. According to the established models, four novel potent ACE\u2010inhibitory tripeptides GEF, VEF, VRF, and VKF were synthesized. The IC<jats:sub>50<\/jats:sub> values were respectively determined to be 13\u2005\u03bcM, 23\u2005\u03bcM, 5\u2005\u03bcM, and 11\u2005\u03bcM by in\u2005vitro evaluation. The results show good agreement with the predicted values. The established models play an important role in revealing the structure\u2010activity relationship of ACE\u2010inhibitory peptides and designing novel peptides with enhanced biological activity.<\/jats:p>","DOI":"10.1002\/minf.201600157","type":"journal-article","created":{"date-parts":[[2017,4,28]],"date-time":"2017-04-28T00:15:43Z","timestamp":1493338543000},"source":"Crossref","is-referenced-by-count":22,"title":["Studies on the Bioactivities of ACE\u2010inhibitory Peptides with Phenylalanine C\u2010terminus Using 3D\u2010QSAR, Molecular Docking and <i>in vitro<\/i> Evaluation"],"prefix":"10.1002","volume":"36","author":[{"given":"Chunyan","family":"Qi","sequence":"first","affiliation":[{"name":"Department of Physical chemistry, School of Pharmacy Guangdong Pharmaceutical University  Guangdong 510006 P.R. 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