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 | |
| 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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Cite this
Tintori, C., Laurenzana, I., Fallacara, A. L., Kessler, U., Pilger, B., Stergiou, L., & Botta, M. (2014). High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction. Bioorganic and Medicinal Chemistry Letters, 24(1), 280-282. https://doi.org/10.1016/j.bmcl.2013.11.019