{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,5,14]],"date-time":"2025-05-14T07:23:12Z","timestamp":1747207392143,"version":"3.40.5"},"reference-count":49,"publisher":"Bentham Science Publishers Ltd.","issue":"7","content-domain":{"domain":["eurekaselect.com"],"crossmark-restriction":true},"short-container-title":["CPB"],"published-print":{"date-parts":[[2021,6]]},"abstract":"<jats:sec>\n<jats:title>Background:<\/jats:title>\n<jats:p>ZUFSP (Zinc-finger and UFSP domain protein) is a novel representative\nmember of the recently characterized seventh class of deubiquitinating enzymes (DUBs). Due to the\nroles DUBs play in genetic instability, they have become a major drug target in cancer and neurodegenerative\ndiseases. ZUFSP, being a DUB enzyme has also been implicated in genetic stability.\nHowever, no lead compound has been developed to target ZUFSP.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Objective\/Methods:<\/jats:title>\n<jats:p>Therefore, in this study, we used a combined drug repurposing, virtual screening\nand per-Residue Energy Decomposition (PRED) to identify ZUFSP inhibitors with therapeutic potential.\n3-bromo-6-[4-hydroxy-1-3(3-phenylbutanoyl)piperidin-4-yl]methyl-4H,5H,6H,7H-thieno[2,3-\nC]pyridine-7-one (BHPTP) which is an inhibitor of USP7 was repurposed to target ZUFSP. The rationale\nbehind this is based on the similarity of the active between USP7 and ZUFSP.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Results:<\/jats:title>\n<jats:p>PRED of the binding between BHPTP and ZUFSP revealed Cys223, Arg408, Met410,\nAsn460, and Tyr465 as the crucial residues responsible for this interaction. The pharmacophoric moieties\nof BHPTP responsible for this binding along with other physiochemical properties were used as a\nfilter to retrieve potential ligands. 799 compounds were retrieved, ZINC083241427, ZINC063648749,\nand ZINC063648753 were selected due to the binding energy they exhibited. Cheminformatics analysis\nrevealed that the compounds possess high membrane permeability, however, BHPTP had a low membrane\npermeability. Furthermore, the compounds are drug like, having obeyed Lipinski\u2019s rule of five.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Conclusion:<\/jats:title>\n<jats:p>aken together, findings from this study put ZINC083241427, ZINC063648749, and\nZINC063648753 as potential ZUFSP inhibitor, however, more experimental validation is required to\nunravel the mechanism of actions of these compounds.<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/1389201021666200730151218","type":"journal-article","created":{"date-parts":[[2020,8,3]],"date-time":"2020-08-03T17:31:53Z","timestamp":1596475913000},"page":"995-1004","update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Leveraging on Active Site Similarities; Identification of Potential Inhibitors of Zinc-Finger and UFSP domain Protein (ZUFSP)"],"prefix":"10.2174","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1385-3013","authenticated-orcid":true,"given":"Mary B.","family":"Ajadi","sequence":"first","affiliation":[{"name":"Department of Medical Biochemistry, School of Laboratory Medicine and Medical Sciences, College of Health Sciences, University of KwaZulu-Natal, Howard Campus, Durban 4000,South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7608-3848","authenticated-orcid":true,"given":"Opeyemi S.","family":"Soremekun","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4001,South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7645-5517","authenticated-orcid":true,"given":"Adeniyi T.","family":"Adewumi","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4001,South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4037-1549","authenticated-orcid":true,"given":"Hezekiel M.","family":"Kumalo","sequence":"additional","affiliation":[{"name":"Department of Medical Biochemistry, School of Laboratory Medicine and Medical Sciences, College of Health Sciences, University of KwaZulu-Natal, Howard Campus, Durban 4000,South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8711-7783","authenticated-orcid":true,"given":"Mahmoud E.S.","family":"Soliman","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4001,South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"965","reference":[{"key":"ref=1","doi-asserted-by":"publisher","first-page":"69","DOI":"10.3322\/caac.20107","volume":"61","author":"Jemal A.","year":"2011","unstructured":"Jemal A.; Bray F.; Center M.M.; Ferlay J.; Ward E.; Forman D.; Global cancer statistics. 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