Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives.

doi:10.1021/jm049252r

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Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives.

Journal of medicinal chemistry - 2 Jun 2005

Ranise Angelo, Spallarossa Andrea, Cesarini Sara, Bondavalli Francesco, Schenone Silvia, Bruno Olga, Menozzi Giulia, Fossa Paola, Mosti Luisa, La Colla Massimiliano, Sanna Giuseppina, Murreddu Marta, Collu Gabriella, Busonera Bernardetta, Marongiu Maria Elena, Pani Alessandra, La Colla Paolo, Loddo Roberta

Abstract excerpt

In this paper we describe our structure-based ligand design, synthetic strategy, and structure-activity relationship (SAR) studies that led to the identification of thiocarbamates (TCs), a novel class of non-nucleoside reverse transcriptase inhibitors (NNRTIs), isosteres of phenethylthiazolylthiourea (PETT) derivatives. Assuming as a lead compound O-[2-(phthalimido)ethyl]phenylthiocarbamate 12, one of the...

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PMID: 15916438
DOI: 10.1021/jm049252r

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