Novel cyclopropyl-indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors

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dc.contributor.authorHassam M.
dc.contributor.authorBasson A.E.
dc.contributor.authorLiotta D.C.
dc.contributor.authorMorris L.
dc.contributor.authorVan Otterlo W.A.L.
dc.contributor.authorPelly S.C.
dc.date.accessioned2012-07-04T10:01:58Z
dc.date.available2012-07-04T10:01:58Z
dc.date.issued2012
dc.description.abstractThe HIV pandemic represents one of the most serious diseases to face mankind in both a social and economic context, with many developing nations being the worst afflicted. Due to ongoing resistance issues associated with the disease, the design and synthesis of anti-HIV agents presents a constant challenge for medicinal chemists. Utilizing molecular modeling, we have designed a series of novel cyclopropyl indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors and carried out their preparation. These compounds facilitate a double hydrogen bonding interaction to Lys101 and efficiently occupy the hydrophobic pockets in the regions of Tyr181/188 and Val179. Several of these compounds inhibited HIV replication as effectively as nevirapine when tested in a phenotypic assay. © 2012 American Chemical Society.
dc.identifier.citationACS Medicinal Chemistry Letters
dc.identifier.citation3
dc.identifier.citation6
dc.identifier.citation470
dc.identifier.citation475
dc.identifier.issn19485875
dc.identifier.otherdoi:10.1021/ml3000462
dc.identifier.urihttp://hdl.handle.net/10019.1/21544
dc.subjectcyclopropyl
dc.subjectHIV
dc.subjectindole
dc.subjectNNRTI
dc.subjectrational design
dc.titleNovel cyclopropyl-indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors
dc.typeArticle
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