2. Academic Validation
  3. 2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies

2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies

  • J Med Chem. 2012 Apr 12;55(7):3558-62. doi: 10.1021/jm201308v.
Dante Rotili 1,  Alberta Samuele,  Domenico Tarantino,  Rino Ragno,  Ira Musmuca,  Flavio Ballante,  Giorgia Botta,  Ludovica Morera,  Marco Pierini,  Roberto Cirilli,  Maxim B Nawrozkij,  Emmanuel Gonzalez,  Bonaventura Clotet,  Marino Artico,  José A Esté,  Giovanni Maga,  Antonello Mai
Affiliations

Affiliation

  • 1 Istituto Pasteur-Fondazione Cenci Bolognetti, Dipartimento di Chimica e Tecnologie del Farmaco, Università degli Studi di Roma La Sapienza, P.le A. Moro 5, 00185 Rome, Italy.
PMID: 22428851 DOI: 10.1021/jm201308v
Abstract

The single enantiomers of two pyrimidine-based HIV-1 non-nucleoside Reverse Transcriptase inhibitors, 1 (MC1501) and 2 (MC2082), were tested in both cellular and Enzyme assays. In general, the R forms were more potent than their S counterparts and racemates and (R)-2 was more efficient than (R)-1 and the reference compounds, with some exceptions. Interestingly, (R)-2 displayed a faster binding to K103N RT with respect to WT RT, while (R)-1 showed the opposite behavior.

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