Literature DB >> 16610779

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

Giorgio Cozza1, 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.   

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).

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Year:  2006        PMID: 16610779     DOI: 10.1021/jm060112m

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  21 in total

1.  Chemical space sampling by different scoring functions and crystal structures.

Authors:  Natasja Brooijmans; Christine Humblet
Journal:  J Comput Aided Mol Des       Date:  2010-04-18       Impact factor: 3.686

2.  Biased retrieval of chemical series in receptor-based virtual screening.

Authors:  Natasja Brooijmans; Jason B Cross; Christine Humblet
Journal:  J Comput Aided Mol Des       Date:  2010-10-30       Impact factor: 3.686

3.  Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V.

Authors:  Kenneth Segers; Olivier Sperandio; Markus Sack; Rainer Fischer; Maria A Miteva; Jan Rosing; Gerry A F Nicolaes; Bruno O Villoutreix
Journal:  Proc Natl Acad Sci U S A       Date:  2007-07-23       Impact factor: 11.205

Review 4.  Computational methods in drug discovery.

Authors:  Gregory Sliwoski; Sandeepkumar Kothiwale; Jens Meiler; Edward W Lowe
Journal:  Pharmacol Rev       Date:  2013-12-31       Impact factor: 25.468

5.  A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase.

Authors:  Takayoshi Kinoshita; Yusuke Sekiguchi; Harumi Fukada; Tetsuko Nakaniwa; Toshiji Tada; Shinya Nakamura; Kazuo Kitaura; Hiroaki Ohno; Yamato Suzuki; Akira Hirasawa; Isao Nakanishi; Gozoh Tsujimoto
Journal:  Mol Cell Biochem       Date:  2011-07-07       Impact factor: 3.396

Review 6.  Adaptive cellular stress pathways as therapeutic targets of dietary phytochemicals: focus on the nervous system.

Authors:  Jaewon Lee; Dong-Gyu Jo; Daeui Park; Hae Young Chung; Mark P Mattson
Journal:  Pharmacol Rev       Date:  2014-07       Impact factor: 25.468

7.  Effects of fruit ellagitannin extracts, ellagic acid, and their colonic metabolite, urolithin A, on Wnt signaling.

Authors:  Meenakshi Sharma; Liya Li; Jeremy Celver; Caroline Killian; Abraham Kovoor; Navindra P Seeram
Journal:  J Agric Food Chem       Date:  2010-04-14       Impact factor: 5.279

8.  Structural features underlying the selectivity of the kinase inhibitors NBC and dNBC: role of a nitro group that discriminates between CK2 and DYRK1A.

Authors:  Stefania Sarno; Marco Mazzorana; Ryan Traynor; Maria Ruzzene; Giorgio Cozza; Mario A Pagano; Flavio Meggio; Giuseppe Zagotto; Roberto Battistutta; Lorenzo A Pinna
Journal:  Cell Mol Life Sci       Date:  2011-07-01       Impact factor: 9.261

Review 9.  The biochemical and cellular basis for nutraceutical strategies to attenuate neurodegeneration in Parkinson's disease.

Authors:  Elizabeth A Mazzio; Fran Close; Karam F A Soliman
Journal:  Int J Mol Sci       Date:  2011-01-17       Impact factor: 5.923

10.  Ellagic acid derivatives from Rubus ulmifolius inhibit Staphylococcus aureus biofilm formation and improve response to antibiotics.

Authors:  Cassandra L Quave; Miriam Estévez-Carmona; Cesar M Compadre; Gerren Hobby; Howard Hendrickson; Karen E Beenken; Mark S Smeltzer
Journal:  PLoS One       Date:  2012-01-05       Impact factor: 3.240

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