Identification of Ellagic Acid as Potent Inhibitor of Protein Kinase CK2:  A Successful Example of a Virtual Screening Application

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,‡ and Stefano Moro*†
Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche, Universit di Padova, via Marzolo 5, Padova, Italy, Dipartimento di Chimica Biologica, Universit di Padova, Padova, Italy, and Clinica di Oncoematologia Pediatrica, Azienda Ospedaliera, Universita di Padova, Padova, Italy
J. Med. Chem., 2006, 49 (8), pp 2363–2366
DOI: 10.1021/jm060112m
Publication Date (Web): March 16, 2006
Copyright © 2006 American Chemical Society
†

 Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche.

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‡

 Dipartimento di Chimica Biologica.

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§

 Clinica di Oncoematologia Pediatrica.

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*

 To whom correspondence should be addressed. Tel. +39 049 8275704. Fax +39 049 827 5366. E-mail:  stefano.moro@unipd.it.

Abstract

Abstract Image

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 (Ki = 20 nM).

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History

  • Published In Issue April 20, 2006
  • Received February 2, 2006

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