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Protein\u2013protein interactions (PPIs) have been studied as possible targets for drug action. However, small molecule drugs are not able to cover the entirety of the PPI binding interface. Peptides were found to be more suited to the large or flat PPI surfaces, in addition to their better pharmacokinetic properties. In this study, computational methods was used in order to verify whether peptide drug inhibitors are good drug candidates against the ubiquitin protein, UBE2C by conducting docking, MD and MMPBSA analyses. Results show that while the lead peptide, T20-M shows good potential as a peptide drug, its binding affinity towards UBE2C is not enough to overcome the natural UBE2C\u2013ANAPC2 interaction. Further studies on modification of T20-M and the analysis of other peptide leads are recommended. <\/jats:p>","DOI":"10.1142\/s0219720022500299","type":"journal-article","created":{"date-parts":[[2022,12,29]],"date-time":"2022-12-29T09:21:49Z","timestamp":1672305709000},"source":"Crossref","is-referenced-by-count":3,"title":["<i>In silico de novo<\/i> drug design of a therapeutic peptide inhibitor against UBE2C in breast cancer"],"prefix":"10.1142","volume":"21","author":[{"given":"Andrea Mae","family":"A\u00f1onuevo","sequence":"first","affiliation":[{"name":"School of Chemica, Biological and Materials Engineering and Sciences, Map\u00faa University, Muralla St. Intramuros, Manila 1002, Philippines"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marineil","family":"Gomez","sequence":"additional","affiliation":[{"name":"School of Chemica, Biological and Materials Engineering and Sciences, Map\u00faa University, Muralla St. Intramuros, Manila 1002, Philippines"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lemmuel L.","family":"Tayo","sequence":"additional","affiliation":[{"name":"School of Chemica, Biological and Materials Engineering and Sciences, Map\u00faa University, Muralla St. Intramuros, Manila 1002, Philippines"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"219","published-online":{"date-parts":[[2023,2,10]]},"reference":[{"key":"S0219720022500299BIB002","doi-asserted-by":"crossref","first-page":"1245","DOI":"10.3892\/ijo.2020.5135","volume":"57","author":"Won K","year":"2020","journal-title":"Int J Oncol"},{"key":"S0219720022500299BIB003","doi-asserted-by":"crossref","first-page":"669431","DOI":"10.3389\/fmolb.2021.669431","volume":"8","author":"Hashemi ZS","year":"2021","journal-title":"Front Mol Biosci"},{"key":"S0219720022500299BIB004","doi-asserted-by":"crossref","first-page":"697586","DOI":"10.3389\/fmolb.2021.697586","volume":"8","author":"Cabri W","year":"2021","journal-title":"Front Mol Biosci"},{"key":"S0219720022500299BIB005","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1073\/pnas.93.1.13","volume":"93","author":"Jones S","year":"1996","journal-title":"Proc Natl Acad Sci"},{"key":"S0219720022500299BIB006","doi-asserted-by":"crossref","first-page":"709","DOI":"10.1016\/j.drudis.2007.07.011","volume":"12","author":"Ruffner H","year":"2007","journal-title":"Drug Discov Today"},{"key":"S0219720022500299BIB007","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1016\/j.drudis.2017.10.016","volume":"23","author":"Bruzzoni-Giovanelli H","year":"2018","journal-title":"Drug Discov Today"},{"key":"S0219720022500299BIB008","doi-asserted-by":"crossref","first-page":"11959","DOI":"10.1523\/JNEUROSCI.1327-16.2016","volume":"36","author":"Shi X-D","year":"2016","journal-title":"J Neurosci"},{"key":"S0219720022500299BIB009","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1186\/1756-6606-7-20","volume":"7","author":"Zhai D","year":"2014","journal-title":"Mol Brain"},{"key":"S0219720022500299BIB010","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nrd892","volume":"1","author":"Hopkins AL","year":"2002","journal-title":"Nat Rev Drug Discov"},{"key":"S0219720022500299BIB011","doi-asserted-by":"crossref","first-page":"3440","DOI":"10.3390\/ijms22073440","volume":"22","author":"Du X","year":"2021","journal-title":"Int J Mol Sci"},{"key":"S0219720022500299BIB012","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/j.biocel.2013.11.023","volume":"47","author":"Xie C","year":"2014","journal-title":"Int J Biochem Cell Biol"},{"key":"S0219720022500299BIB013","doi-asserted-by":"crossref","first-page":"2465","DOI":"10.1097\/CM9.0000000000001708","volume":"134","author":"Lu Z-N","year":"2021","journal-title":"Chin Med J (Engl)"},{"key":"S0219720022500299BIB015","doi-asserted-by":"crossref","first-page":"2917","DOI":"10.1093\/bioinformatics\/btaa026","volume":"36","author":"Wood CW","year":"2020","journal-title":"Bioinformatics"},{"key":"S0219720022500299BIB016","doi-asserted-by":"crossref","first-page":"W449","DOI":"10.1093\/nar\/gkw329","volume":"44","author":"Lamiable A","year":"2016","journal-title":"Nucleic Acids Res"},{"key":"S0219720022500299BIB017","doi-asserted-by":"crossref","first-page":"W331","DOI":"10.1093\/nar\/gkz368","volume":"47","author":"Roy AA","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"S0219720022500299BIB018","author":"Lindahl A","year":"2020","journal-title":"GROMACS 2020 Manual"},{"key":"S0219720022500299BIB019","author":"Lindahl A","year":"2020","journal-title":"Zenodo"},{"key":"S0219720022500299BIB020","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","volume":"54","author":"Kumari R","year":"2014","journal-title":"J. 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