title: 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.affiliation: Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche, Università di Padova, via Marzolo 5, Padua, Italy.
authors.forename: Giorgio
authors.initials: G
authors.lastname: Cozza
authors.forename: Paolo
authors.initials: P
authors.lastname: Bonvini
authors.forename: Elisa
authors.initials: E
authors.lastname: Zorzi
authors.forename: Giorgia
authors.initials: G
authors.lastname: Poletto
authors.forename: Mario A
authors.initials: MA
authors.lastname: Pagano
authors.forename: Stefania
authors.initials: S
authors.lastname: Sarno
authors.forename: Arianna
authors.initials: A
authors.lastname: Donella-Deana
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Zagotto
authors.forename: Angelo
authors.initials: A
authors.lastname: Rosolen
authors.forename: Lorenzo A
authors.initials: LA
authors.lastname: Pinna
authors.forename: Flavio
authors.initials: F
authors.lastname: Meggio
authors.forename: Stefano
authors.initials: S
authors.lastname: Moro
mesh_terms: D001665:Binding Sites / Q000187:drug effects; D047390:Casein Kinase II / Q000037:antagonists & inhibitors*; D002470:Cell Survival / Q000187:drug effects; D004353:Drug Evaluation, Preclinical / Q000379:methods; D004610:Ellagic Acid / Q000737:chemistry / Q000494:pharmacology*; D004789:Enzyme Activation / Q000187:drug effects; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D007700:Kinetics; D008958:Models, Molecular; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D004610:Ellagic Acid; D047390:Casein Kinase II