Artículos de revistas
Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
Fecha
2012-12Registro en:
Bollini, Mariela; Gallardo Macias, Ricardo; Spasov, Krasimir A.; Tirado Rives, Julian; Anderson, Karen S.; et al.; Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency; Elsevier; Bioorganic & Medicinal Chemistry Letters; 23; 4; 12-2012; 1110-1113
0960-894X
CONICET Digital
CONICET
Autor
Bollini, Mariela
Gallardo Macias, Ricardo
Spasov, Krasimir A.
Tirado Rives, Julian
Anderson, Karen S.
Jorgensen, William L.
Resumen
Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs 1e and 1f with 1–7 nM potency towards both the wild-type virus and a Tyr181C variant.