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Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B
Shahar Keinan,William D. Paquette,John J. Skoko,David N. Beratan,Weitao Yang,Sunita Shinde,Paul A. Johnston,John S. Lazo
Organic & Biomolecular Chemistry Pub Date : 07/15/2008 00:00:00 , DOI:10.1039/B806712K
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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