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Bioorg Med Chem. 2013 Sep 15;21(18):5900-6. doi: 10.1016/j.bmc.2013.06.061. Epub 2013 Jul 3.

Synthesis and evaluation of novel 3-(3,5-dimethylbenzyl)uracil analogs as potential anti-HIV-1 agents.

Author information

1
Faculty of Pharmaceutical Sciences at Kagawa Campus, Tokushima Bunri University, Sanuki City, Japan.

Abstract

A novel series of uracil derivatives with a 3,5-dimethylbenzyl group at the N(3)-position were synthesized and evaluated as non-nucleoside HIV-1 reverse transcriptase inhibitors. Some of these compounds showed good-to-moderate activity with EC50 values in the submicromolar range. Among them, compound 10c showed significant potency against HIV-1 activity with an EC50 value of 0.03 μM and a high selectivity index of 2863. Preliminary structure-activity relationships and molecular modeling analyses were used to explore the major interactions between HIV-1 reverse transcriptase and the potent inhibitor 10c, which may serve as an important lead for further optimization.

KEYWORDS:

Anti-HIV-1 agents; HIV-1 RT; Molecular modeling analysis; NNRTIs; Uracil analogs

PMID:
23916148
DOI:
10.1016/j.bmc.2013.06.061
[Indexed for MEDLINE]
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