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

Cristina Tintori; Ilaria Laurenzana; Anna Lucia Fallacara; Ulrich Kessler; Beatrice Pilger; Lilli Stergiou; Maurizio Botta

doi:10.1016/j.bmcl.2013.11.019

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

Cristina Tintori, Ilaria Laurenzana, Anna Lucia Fallacara, Ulrich Kessler, Beatrice Pilger, Lilli Stergiou, Maurizio Botta

IRCCS Centro di Riferimento Oncologico della Basilicata (CROB)

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	280-282
Number of pages	3
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	24
Issue number	1
DOIs	https://doi.org/10.1016/j.bmcl.2013.11.019
Publication status	Published - Jan 1 2014

Keywords

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

ASJC Scopus subject areas

Pharmaceutical Science
Drug Discovery
Organic Chemistry
Molecular Medicine
Molecular Biology
Clinical Biochemistry
Biochemistry

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10.1016/j.bmcl.2013.11.019

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High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction. / Tintori, Cristina; Laurenzana, Ilaria; Fallacara, Anna Lucia; Kessler, Ulrich; Pilger, Beatrice; Stergiou, Lilli; Botta, Maurizio.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 24, No. 1, 01.01.2014, p. 280-282.

Research output: Contribution to journal › Article › peer-review

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AU - Pilger, Beatrice

AU - Stergiou, Lilli

AU - Botta, Maurizio

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

Abstract

Keywords

ASJC Scopus subject areas

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