Scouting Novel Protein Kinase A (PKA) Inhibitors by Using a Consensus Docking-Based Virtual Screening Approach

Title: Scouting Novel Protein Kinase A (PKA) Inhibitors by Using a Consensus Docking-Based Virtual Screening Approach

Volume: 6 Issue: 5

Author(s): Nicola Zonta, Giorgio Cozza, Alessandra Gianoncelli, Oliver Korb, Thomas E. Exner, Flavio Meggio, Giuseppe Zagotto and Stefano Moro

Affiliation:

Keywords: Virtual screening (VS), Molecular docking, Protein kinase A (PKA)

Abstract: Virtual screening (VS) approaches have been constantly increasing their applications into hit discovery process. In the last few years, we have performed an intensive screening campaign using different in silico strategies and combining them with a biochemistry validation. In the present work, using a consensus docking approach, we have identified a small family of novel protein kinase A (PKA) inhibitors. In particular, an anthraquinone derivative (compound 11) has shown an interesting inhibitory activity versus PKA with an IC50 value of 27 μM.

Cite this article as:

Zonta Nicola, Cozza Giorgio, Gianoncelli Alessandra, Korb Oliver, Exner E. Thomas, Meggio Flavio, Zagotto Giuseppe and Moro Stefano, Scouting Novel Protein Kinase A (PKA) Inhibitors by Using a Consensus Docking-Based Virtual Screening Approach, Letters in Drug Design & Discovery 2009; 6 (5) . https://dx.doi.org/10.2174/1570180810906050327