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Discovery of novel 2-(3-(2-chlorophenyl)pyrazin-2-ylthio)-N-arylacetamides as potent HIV-1 inhibitors using a structure-based bioisosterism approach.
- Source :
-
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2012 Dec 01; Vol. 20 (23), pp. 6795-802. Date of Electronic Publication: 2012 Oct 06. - Publication Year :
- 2012
-
Abstract
- The present work is an extension of our ongoing efforts towards the development and identification of new molecules with anti-HIV activity which have previously led to the discovery of arylazolylthioacetanilides as highly active NNRTIs. In this article, a series of 2-2-(3-(2-chlorophenyl)pyrazin-2-ylthio)-N-arylacetamide derivatives were synthesized and evaluated for in vitro anti-HIV activity. Most of the tested compounds exhibited moderate activities against wild-type HIV-1. Among them, compound 6k showed significant activity against wild-type HIV-1 with an EC(50) value of 1.7μM, along with moderate activity against wild-type reverse transcriptase (RT). The preliminary structure-activity relationship (SAR) and docking calculations of this new series of compounds were also investigated, which may help designing more potent molecules.<br /> (Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.)
- Subjects :
- Anti-HIV Agents chemical synthesis
Drug Design
HIV Reverse Transcriptase metabolism
HIV-1 enzymology
Humans
Models, Molecular
Structure-Activity Relationship
Thioacetamide chemical synthesis
Anti-HIV Agents chemistry
Anti-HIV Agents pharmacology
HIV Infections drug therapy
HIV Reverse Transcriptase antagonists & inhibitors
HIV-1 drug effects
Thioacetamide chemistry
Thioacetamide pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3391
- Volume :
- 20
- Issue :
- 23
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 23098609
- Full Text :
- https://doi.org/10.1016/j.bmc.2012.09.058