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Article: Discovery of a Novel Binding Trench in HIV Integrase

TitleDiscovery of a Novel Binding Trench in HIV Integrase
Authors
Schames, Julie R.Henchman, Richard H.Siegel, Jay S.Sotriffer, Christoph A.Ni, HaihongMcCammon, J. Andrew
Issue Date2004
Citation
Journal of Medicinal Chemistry, 2004, v. 47, n. 8, p. 1879-1881 How to Cite?
DOI: http://dx.doi.org/10.1021/jm0341913
AbstractDocking of the 5CITEP inhibitor to snapshots of a 2 ns HIV-1 integrase MD trajectory indicated a previously uncharacterized trench adjacent to the active site that intermittently opens. Further docking studies of novel ligands with the potential to bind to both regions showed greater selective affinity when able to bind to the trench. Our ranking of ligands is open to experimental testing, and our approach suggests a new target for HIV-1 therapeutics.
Persistent Identifierhttp://hdl.handle.net/10722/341073
ISSN
0022-2623
2023 Impact Factor: 6.8
2023 SCImago Journal Rankings: 1.986
ISI Accession Number ID
WOS:000220642100002

 

DC FieldValueLanguage
dc.contributor.authorSchames, Julie R.-
dc.contributor.authorHenchman, Richard H.-
dc.contributor.authorSiegel, Jay S.-
dc.contributor.authorSotriffer, Christoph A.-
dc.contributor.authorNi, Haihong-
dc.contributor.authorMcCammon, J. Andrew-
dc.date.accessioned2024-03-13T08:39:56Z-
dc.date.available2024-03-13T08:39:56Z-
dc.date.issued2004-
dc.identifier.citationJournal of Medicinal Chemistry, 2004, v. 47, n. 8, p. 1879-1881-
dc.identifier.issn0022-2623-
dc.identifier.urihttp://hdl.handle.net/10722/341073-
dc.description.abstractDocking of the 5CITEP inhibitor to snapshots of a 2 ns HIV-1 integrase MD trajectory indicated a previously uncharacterized trench adjacent to the active site that intermittently opens. Further docking studies of novel ligands with the potential to bind to both regions showed greater selective affinity when able to bind to the trench. Our ranking of ligands is open to experimental testing, and our approach suggests a new target for HIV-1 therapeutics.-
dc.languageeng-
dc.relation.ispartofJournal of Medicinal Chemistry-
dc.titleDiscovery of a Novel Binding Trench in HIV Integrase-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jm0341913-
dc.identifier.pmid15055986-
dc.identifier.scopuseid_2-s2.0-1842607357-
dc.identifier.volume47-
dc.identifier.issue8-
dc.identifier.spage1879-
dc.identifier.epage1881-
dc.identifier.isiWOS:000220642100002-

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