Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application

  • J Med Chem. 2006 Apr 20;49(8):2363-6. doi: 10.1021/jm060112m.
Giorgio Cozza  1 ,  Paolo Bonvini ,  Elisa Zorzi ,  Giorgia Poletto ,  Mario A Pagano ,  Stefania Sarno ,  Arianna Donella-Deana ,  Giuseppe Zagotto ,  Angelo Rosolen ,  Lorenzo A Pinna ,  Flavio Meggio ,  Stefano Moro
Affiliations
  • 1. Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche, Università di Padova, via Marzolo 5, Padua, Italy.
PMID: 16610779 DOI: 10.1021/jm060112m
Abstract

Casein Kinase 2 (CK2) is a ubiquitous, essential, and highly pleiotropic protein kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic potential in neoplasia and Other Diseases. Using a virtual screening approach, we have identified the ellagic acid, a naturally occurring tannic acid derivative, as a novel potent CK2 Inhibitor. At present, ellagic acid represents the most potent known CK2 Inhibitor (K(i) = 20 nM).

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