Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

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...

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Hauptverfasser: Bollini, Mariela, Gallardo-Macias, Ricardo, Spasov, Krasimir A., Tirado-Rives, Julian, Anderson, Karen S., Jorgensen, William L.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2012
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3561933/
https://ncbi.nlm.nih.gov/pubmed/23298809
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2012.11.115
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