Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

dc.creatorBollini, Mariela
dc.creatorGallardo Macias, Ricardo
dc.creatorSpasov, Krasimir A.
dc.creatorTirado Rives, Julian
dc.creatorAnderson, Karen S.
dc.creatorJorgensen, William L.
dc.date.accessioned2017-08-23T19:32:18Z
dc.date.accessioned2018-11-06T14:36:49Z
dc.date.available2017-08-23T19:32:18Z
dc.date.available2018-11-06T14:36:49Z
dc.date.created2017-08-23T19:32:18Z
dc.date.issued2012-12
dc.identifierBollini, Mariela; Gallardo Macias, Ricardo; Spasov, Krasimir A.; Tirado Rives, Julian; Anderson, Karen S.; et al.; Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency; Elsevier; Bioorganic & Medicinal Chemistry Letters; 23; 4; 12-2012; 1110-1113
dc.identifier0960-894X
dc.identifierhttp://hdl.handle.net/11336/22884
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1888260
dc.description.abstractDesign of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs 1e and 1f with 1–7 nM potency towards both the wild-type virus and a Tyr181C variant.
dc.languageeng
dc.publisherElsevier
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0960894X12015673
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.bmcl.2012.11.115
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectAnti-HIV agents
dc.subjectComputer-aided drug design
dc.subjectFree-energy calculations
dc.subjectNNRTIs
dc.titleOptimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


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