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In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine).
Janssen PA, Lewi PJ, Arnold E, Daeyaert F, de Jonge M, Heeres J, Koymans L, Vinkers M, Guillemont J, Pasquier E, Kukla M, Ludovici D, Andries K, de Béthune MP, Pauwels R, Das K, Clark AD Jr, Frenkel YV, Hughes SH, Medaer B, De Knaep F, Bohets H, De Clerck F, Lampo A, Williams P, Stoffels P. Janssen PA, et al. Among authors: frenkel yv. J Med Chem. 2005 Mar 24;48(6):1901-9. doi: 10.1021/jm040840e. J Med Chem. 2005. PMID: 15771434 Review.
Molecular dynamics study of non-nucleoside reverse transcriptase inhibitor 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile (TMC278/rilpivirine) aggregates: correlation between amphiphilic properties of the drug and oral bioavailability.
Frenkel YV, Gallicchio E, Das K, Levy RM, Arnold E. Frenkel YV, et al. J Med Chem. 2009 Oct 8;52(19):5896-905. doi: 10.1021/jm900282z. J Med Chem. 2009. PMID: 19739675 Free PMC article.
Structural basis of HIV-1 resistance to AZT by excision.
Tu X, Das K, Han Q, Bauman JD, Clark AD Jr, Hou X, Frenkel YV, Gaffney BL, Jones RA, Boyer PL, Hughes SH, Sarafianos SG, Arnold E. Tu X, et al. Among authors: frenkel yv. Nat Struct Mol Biol. 2010 Oct;17(10):1202-9. doi: 10.1038/nsmb.1908. Epub 2010 Sep 19. Nat Struct Mol Biol. 2010. PMID: 20852643 Free PMC article.