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

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).

• Authors: Giorgio Cozza, 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
• Journal: Journal of medicinal chemistry (J Med Chem) Vol. 49 Issue 8 Pg. 2363-6 (Apr 20 2006) ISSN: 0022-2623 [Print] United States
• PMID: 16610779 (Publication Type: Journal Article, Research Support, Non-U.S. Gov't)

Chemical References

• Enzyme Inhibitors
• Ellagic Acid
• Casein Kinase II

Topics

• Binding Sites (drug effects)
• Casein Kinase II (antagonists & inhibitors)
• Cell Survival (drug effects)
• Drug Evaluation, Preclinical (methods)
• Ellagic Acid (chemistry, pharmacology)
• Enzyme Activation (drug effects)
• Enzyme Inhibitors (chemistry, pharmacology)
• Humans
• Kinetics
• Models, Molecular
• Structure-Activity Relationship