{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T16:20:47Z","timestamp":1788884447874,"version":"build-2803163510"},"reference-count":29,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2021,12,13]],"date-time":"2021-12-13T00:00:00Z","timestamp":1639353600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["YSS\/2015\/001301"],"award-info":[{"award-number":["YSS\/2015\/001301"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Proteins"],"published-print":{"date-parts":[[2022,4]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Recently, multifunctional fish peptides (FWPs) have gained a lot of attention because of their different biological activities. In the present study, three angiotensin\u2010I converting enzyme (ACE\u2010I) inhibitory peptides [Ala\u2010Pro\u2010Asp\u2010Gly (APDG), Pro\u2010Thr\u2010Arg (PTR), and Ala\u2010Asp (AD)] were isolated and characterized from ribbonfish protein hydrolysate (RFPH) and described their mechanism of action on ACE activity. As per the results, peptide PTR showed \u2248\u20092 and 2.5\u2010fold higher enzyme inhibitory activity (IC\n                    <jats:sub>50<\/jats:sub>\n                    =\u20090.643\u2009\u00b1\u20090.0011\u2009\u03bcM) than APDG (IC\n                    <jats:sub>50<\/jats:sub>\n                    =\u20091.061\u2009\u00b1\u20090.0127\u2009\u03bcM) and AD (IC\n                    <jats:sub>50<\/jats:sub>\n                    =\u20092.046\u2009\u00b1\u20090.0130\u2009\u03bcM). Based on experimental evidence, peptides were used for\n                    <jats:italic>in silico<\/jats:italic>\n                    analysis to check the inhibitory activity of the main protease (PDB: 7BQY) of SARS\u2010CoV\u20102. The results of the study reveal that PTR (\u221246.16 kcal\/mol) showed higher binding affinity than APDG (\u221236.80 kcal\/mol) and AD (\u221230.24 kcal\/mol) compared with remdesivir (\u221230.64 kcal\/mol). Additionally, physicochemical characteristics of all the isolated peptides exhibited appropriate pharmacological properties and were found to be nontoxic. Besides, 20\u2009ns molecular dynamic simulation study confirms the rigid nature, fewer confirmation variations, and binding stiffness of the peptide PTR with the main protease of SARS\u2010CoV\u20102. Therefore, the present study strongly suggested that PTR is the perfect substrate for inhibiting the main protease of SARS\u2010CoV\u20102 through the\n                    <jats:italic>in silico<\/jats:italic>\n                    study, and this potential drug candidate may promote the researcher for future wet lab experiments.\n                  <\/jats:p>","DOI":"10.1002\/prot.26291","type":"journal-article","created":{"date-parts":[[2021,12,7]],"date-time":"2021-12-07T22:11:36Z","timestamp":1638915096000},"page":"982-992","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Isolation and characterization of\n                    <scp>ACE\u2010I<\/scp>\n                    inhibitory peptides from ribbonfish for a potential inhibitor of the main protease of\n                    <scp>SARS\u2010CoV<\/scp>\n                    \u20102: An\n                    <i>in silico<\/i>\n                    analysis"],"prefix":"10.1002","volume":"90","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8797-4996","authenticated-orcid":false,"given":"Undiganalu","family":"G. Yathisha","sequence":"first","affiliation":[{"name":"Nitte University Centre for Science Education and Research Nitte (Deemed to be University), Paneer Campus  Mangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahendra Gowdru","family":"Srinivasa","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Nitte (Deemed to be University)  Mangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Revana","family":"Siddappa BC","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Nitte (Deemed to be University)  Mangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Subankar","family":"P Mandal","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry JSS College of Pharmacy, JSS Academy of Higher Education and Research  Mysuru India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheshagiri R.","family":"Dixit","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry JSS College of Pharmacy, JSS Academy of Higher Education and Research  Mysuru India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"G. V.","family":"Pujar","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry JSS College of Pharmacy, JSS Academy of Higher Education and Research  Mysuru India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4957-9098","authenticated-orcid":false,"given":"Mamatha","family":"Bangera Sheshappa","sequence":"additional","affiliation":[{"name":"Nitte University Centre for Science Education and Research Nitte (Deemed to be University), Paneer Campus  Mangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2021,12,13]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2020.575444"},{"key":"e_1_2_9_3_1","unstructured":"#IndiaFightsCorona COVID\u201019 in India Vaccination Dashboard. 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