Issue 18, 2008
From the journal:

Organic & Biomolecular Chemistry

Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B

Shahar Keinan,a   William D. Paquette,b   John J. Skoko,c   David N. Beratan,a   Weitao Yang,a   Sunita Shinde,c   Paul A. Johnston,c   John S. Lazoc  and  Peter Wipf*abc  

* Corresponding authors

a Department of Chemistry, Duke University, Durham, NC, USA

b Department of Chemistry & Center for Chemical Methodologies and Library Development, University of Pittsburgh, Pittsburgh, PA, USA

c Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA, USA

Abstract

Quinoid inhibitors of Cdc25B were designed based on the Linear Combination of Atomic Potentials (LCAP) methodology. In contrast to a published hypothesis, the biological activities and hydrogen peroxide generation in reducing media of three synthetic models did not correlate with the quinone half-wave potential, E1/2.

Graphical abstract: Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B

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Article information

DOI
https://doi.org/10.1039/B806712K
Article type
Paper
Submitted
21 Apr 2008
Accepted
24 Jun 2008
First published
15 Jul 2008

Org. Biomol. Chem., 2008,6, 3256-3263

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Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B

S. Keinan, W. D. Paquette, J. J. Skoko, D. N. Beratan, W. Yang, S. Shinde, P. A. Johnston, J. S. Lazo and P. Wipf, Org. Biomol. Chem., 2008, 6, 3256 DOI: 10.1039/B806712K

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