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Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency.
- Source :
-
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2013 Feb 15; Vol. 23 (4), pp. 1110-3. Date of Electronic Publication: 2012 Dec 12. - Publication Year :
- 2013
-
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.<br /> (Copyright © 2012 Elsevier Ltd. All rights reserved.)
- Subjects :
- Drug Design
HIV-1 drug effects
Humans
Models, Molecular
Structure-Activity Relationship
Anti-HIV Agents chemistry
Anti-HIV Agents pharmacology
HIV Reverse Transcriptase antagonists & inhibitors
HIV-1 enzymology
Reverse Transcriptase Inhibitors chemistry
Reverse Transcriptase Inhibitors pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3405
- Volume :
- 23
- Issue :
- 4
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 23298809
- Full Text :
- https://doi.org/10.1016/j.bmcl.2012.11.115