Literature DB >> 23298809

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

Mariela Bollini1, Ricardo Gallardo-Macias, Krasimir A Spasov, Julian Tirado-Rives, Karen S Anderson, William L Jorgensen.   

Abstract

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.
Copyright © 2012 Elsevier Ltd. All rights reserved.

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Year:  2012        PMID： 23298809      PMCID： PMC3561933          DOI： 10.1016/j.bmcl.2012.11.115

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  20 in total

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