High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction

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Bioorg Med Chem Lett. 2013 Nov 21. pii: S0960-894X(13)01298-5. doi: 10.1016/j.bmcl.2013.11.019. [Epub ahead of print]
High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction.
Tintori C, Laurenzana I, Fallacara AL, Kessler U, Pilger B, Stergiou L, Botta M.
Source

Dipartimento Biotecnologie, Chimica e Farmacia, Universit? degli Studi di Siena, via A. Moro, 53100 Siena, Italy.
Abstract

A high-throughput molecular docking approach was successfully applied for the selection of potential inhibitors of the Influenza RNA-polymerase which act by targeting the PA-PB1 protein-protein interaction. Commercially available compounds were purchased and biologically evaluated in vitro using an ELISA-based assay. As a result, some compounds possessing a 3-cyano-4,6-diphenyl-pyridine nucleus emerged as effective inhibitors with the best ones showing IC50 values in the micromolar range.

Copyright ? 2013 Elsevier Ltd. All rights reserved.
KEYWORDS:

Antiviral agents, High-throughput docking, Influenza virus, PA?PB1 interaction, Viral RNA polymerase, Virtual screening

PMID:
24314669
[PubMed - as supplied by publisher]

http://www.ncbi.nlm.nih.gov/pubmed/24314669