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    Org Biomol Chem. 2008 Sep 21;6(18):3256-63. Epub 2008 Jul 15.

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

    Keinan S, Paquette WD, Skoko JJ, Beratan DN, Yang W, Shinde S, Johnston PA, Lazo JS, Wipf P.

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

    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, E(1/2).

    PMID: 18802630 [PubMed - indexed for MEDLINE]

    PMCID: 2752828

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