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.
Tintori, C., Laurenzana, I., Fallacara, A.l., Kessler, U., Pilger, B., Stergiou, L., et al. (2014). High-throughput docking for the identification of new influenza A virus polymerase inhibitors targeting the PA-PB1 protein-protein interaction. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 24(1), 280-282 [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.
TINTORI, CRISTINA;LAURENZANA, ILARIA;BOTTA, MAURIZIO
2014-01-01
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.
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https://hdl.handle.net/11365/49371
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