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

Publication ,  Journal Article
Keinan, S; Paquette, WD; Skoko, JJ; Beratan, DN; Yang, W; Shinde, S; Johnston, PA; Lazo, JS; Wipf, P
Published in: Organic & biomolecular chemistry
September 2008

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).

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Published In

Organic & biomolecular chemistry

DOI

EISSN

1477-0539

ISSN

1477-0520

Publication Date

September 2008

Volume

6

Issue

18

Start / End Page

3256 / 3263

Related Subject Headings

  • cdc25 Phosphatases
  • Substrate Specificity
  • Structure-Activity Relationship
  • Quinones
  • Oxidation-Reduction
  • Organic Chemistry
  • Molecular Structure
  • Hydrogen Peroxide
  • Humans
  • Enzyme Inhibitors
 

Citation

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Keinan, S., Paquette, W. D., Skoko, J. J., Beratan, D. N., Yang, W., Shinde, S., … Wipf, P. (2008). Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B. Organic & Biomolecular Chemistry, 6(18), 3256–3263. https://doi.org/10.1039/b806712k
Keinan, Shahar, William D. Paquette, John J. Skoko, David N. Beratan, Weitao Yang, Sunita Shinde, Paul A. Johnston, John S. Lazo, and Peter Wipf. “Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B.Organic & Biomolecular Chemistry 6, no. 18 (September 2008): 3256–63. https://doi.org/10.1039/b806712k.
Keinan S, Paquette WD, Skoko JJ, Beratan DN, Yang W, Shinde S, et al. Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B. Organic & biomolecular chemistry. 2008 Sep;6(18):3256–63.
Keinan, Shahar, et al. “Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B.Organic & Biomolecular Chemistry, vol. 6, no. 18, Sept. 2008, pp. 3256–63. Epmc, doi:10.1039/b806712k.
Keinan S, Paquette WD, Skoko JJ, Beratan DN, Yang W, Shinde S, Johnston PA, Lazo JS, Wipf P. Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B. Organic & biomolecular chemistry. 2008 Sep;6(18):3256–3263.
Journal cover image

Published In

Organic & biomolecular chemistry

DOI

EISSN

1477-0539

ISSN

1477-0520

Publication Date

September 2008

Volume

6

Issue

18

Start / End Page

3256 / 3263

Related Subject Headings

  • cdc25 Phosphatases
  • Substrate Specificity
  • Structure-Activity Relationship
  • Quinones
  • Oxidation-Reduction
  • Organic Chemistry
  • Molecular Structure
  • Hydrogen Peroxide
  • Humans
  • Enzyme Inhibitors