Document Detail


Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application.
MedLine Citation:
PMID:  16610779     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Journal of medicinal chemistry     Volume:  49     ISSN:  0022-2623     ISO Abbreviation:  J. Med. Chem.     Publication Date:  2006 Apr 
Date Detail:
Created Date:  2006-04-13     Completed Date:  2006-05-22     Revised Date:  2009-11-19    
Medline Journal Info:
Nlm Unique ID:  9716531     Medline TA:  J Med Chem     Country:  United States    
Other Details:
Languages:  eng     Pagination:  2363-6     Citation Subset:  IM    
Affiliation:
Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche, Università di Padova, via Marzolo 5, Padua, Italy.
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MeSH Terms
Descriptor/Qualifier:
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
Chemical
Reg. No./Substance:
0/Enzyme Inhibitors; 476-66-4/Ellagic Acid; EC 2.7.11.1/Casein Kinase II

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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