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.

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).

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

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

Substances

  • Enzyme Inhibitors
  • Ellagic Acid
  • Casein Kinase II