Scaffold hopping in the rational design of novel HIV-1 non-nucleoside reverse transcriptase inhibitors

JA O'Meara, A Jakalian, S LaPlante…

Index: O'Meara, Jeff A.; Jakalian, Araz; LaPlante, Steven; Bonneau, Pierre R.; Coulombe, Rene; Faucher, Anne-Marie; Guse, Ingrid; Landry, Serge; Racine, Jennifer; Simoneau, Bruno; Thavonekham, Bounkham; Yoakim, Christiane Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3362 - 3366

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Citation Number: 48

Abstract

High-throughput screening hit 1 was identified as a potent, broad-spectrum, non-nucleoside reverse transcriptase inhibitor (NNRTI) of HIV-1 replication. Analysis of the bound conformation of analogs of this inhibitor via molecular modeling and NMR contributed to the design of novel tertiary amide, carbamate, and thiocarbamate based NNRTIs.