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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)280-282
Number of pages3
JournalBioorganic and Medicinal Chemistry Letters
Volume24
Issue number1
DOIs
Publication statusPublished - 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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