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Article: Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors

TitleStructure-based repurposing of FDA-approved drugs as TNF-α inhibitors
Authors
Leung, CHChan, DSHKwan, MHTCheng, ZWong, CYZhu, GYFong, WFMa, DL
KeywordsApproved drugs
Drug discovery
Inhibitors
Tumor necrosis factor
Virtual screening
Issue Date2011
PublisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/110485305
Citation
Chemmedchem, 2011, v. 6 n. 5, p. 765-768 How to Cite?
DOI: http://dx.doi.org/10.1002/cmdc.201100016
AbstractOld dogs, new tricks! We applied structure-based virtual screening methods to identify small-molecule inhibitors of tumor necrosis factor-α (TNF-α) from a database of 3000 US Food and Drug Administration (FDA)-approved drugs. Darifenacin (Enablex) and ezetimibe (Zetia) were identified as direct TNF-α inhibition, representing only the fifth and sixth examples of small-molecule TNF-α inhibitors. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Persistent Identifierhttp://hdl.handle.net/10722/168522
ISSN
1860-7179
2021 Impact Factor: 3.540
2020 SCImago Journal Rankings: 0.817
ISI Accession Number ID
WOS:000289860900002
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorLeung, CHen_US
dc.contributor.authorChan, DSHen_US
dc.contributor.authorKwan, MHTen_US
dc.contributor.authorCheng, Zen_US
dc.contributor.authorWong, CYen_US
dc.contributor.authorZhu, GYen_US
dc.contributor.authorFong, WFen_US
dc.contributor.authorMa, DLen_US
dc.date.accessioned2012-10-08T03:19:58Z-
dc.date.available2012-10-08T03:19:58Z-
dc.date.issued2011en_US
dc.identifier.citationChemmedchem, 2011, v. 6 n. 5, p. 765-768en_US
dc.identifier.issn1860-7179en_US
dc.identifier.urihttp://hdl.handle.net/10722/168522-
dc.description.abstractOld dogs, new tricks! We applied structure-based virtual screening methods to identify small-molecule inhibitors of tumor necrosis factor-α (TNF-α) from a database of 3000 US Food and Drug Administration (FDA)-approved drugs. Darifenacin (Enablex) and ezetimibe (Zetia) were identified as direct TNF-α inhibition, representing only the fifth and sixth examples of small-molecule TNF-α inhibitors. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.en_US
dc.languageengen_US
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/110485305en_US
dc.relation.ispartofChemMedChemen_US
dc.subjectApproved drugs-
dc.subjectDrug discovery-
dc.subjectInhibitors-
dc.subjectTumor necrosis factor-
dc.subjectVirtual screening-
dc.subject.meshBinding Sitesen_US
dc.subject.meshComputer Simulationen_US
dc.subject.meshDatabases, Factualen_US
dc.subject.meshDrug Approvalen_US
dc.subject.meshDrug Designen_US
dc.subject.meshHigh-Throughput Screening Assaysen_US
dc.subject.meshSmall Molecule Libraries - Chemistryen_US
dc.subject.meshTumor Necrosis Factor-Alpha - Antagonists & Inhibitors - Metabolismen_US
dc.subject.meshUnited Statesen_US
dc.subject.meshUnited States Food And Drug Administrationen_US
dc.titleStructure-based repurposing of FDA-approved drugs as TNF-α inhibitorsen_US
dc.typeArticleen_US
dc.identifier.emailLeung, CH:duncanl@hkucc.hku.hken_US
dc.identifier.emailMa, DL:edmondma@hku.hken_US
dc.identifier.authorityLeung, CH=rp00730en_US
dc.identifier.authorityMa, DL=rp00760en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1002/cmdc.201100016en_US
dc.identifier.pmid21365767-
dc.identifier.scopuseid_2-s2.0-79955032758en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-79955032758&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume6en_US
dc.identifier.issue5en_US
dc.identifier.spage765en_US
dc.identifier.epage768en_US
dc.identifier.isiWOS:000289860900002-
dc.publisher.placeGermanyen_US
dc.identifier.scopusauthoridLeung, CH=7402612570en_US
dc.identifier.scopusauthoridChan, DSH=35285471900en_US
dc.identifier.scopusauthoridKwan, MHT=37039555100en_US
dc.identifier.scopusauthoridCheng, Z=37039284500en_US
dc.identifier.scopusauthoridWong, CY=7404954160en_US
dc.identifier.scopusauthoridZhu, GY=7402633140en_US
dc.identifier.scopusauthoridFong, WF=7102816013en_US
dc.identifier.scopusauthoridMa, DL=7402075538en_US
dc.identifier.issnl1860-7179-

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