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

Keinan, S and Paquette, WD and Skoko, JJ and Beratan, DN and Yang, W and Shinde, S and Johnston, PA and Lazo, JS and Wipf, P (2008) Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B. Organic and Biomolecular Chemistry, 6 (18). 3256 - 3263. ISSN 1477-0520

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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. © 2008 The Royal Society of Chemistry.

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Details

Item Type: Article
Status: Published
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Keinan, S
Paquette, WD
Skoko, JJ
Beratan, DN
Yang, W
Shinde, S
Johnston, PApaj18@pitt.eduPAJ180000-0001-5815-3091
Lazo, JS
Wipf, Ppwipf@pitt.eduPWIPF
Date: 3 October 2008
Date Type: Publication
Journal or Publication Title: Organic and Biomolecular Chemistry
Volume: 6
Number: 18
Page Range: 3256 - 3263
DOI or Unique Handle: 10.1039/b806712k
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 1477-0520
MeSH Headings: Cell Line, Tumor; Cell Survival--drug effects; Combinatorial Chemistry Techniques; Computer Simulation; Drug Design; Drug Evaluation, Preclinical; Enzyme Inhibitors--chemical synthesis; Enzyme Inhibitors--chemistry; Enzyme Inhibitors--pharmacology; Humans; Hydrogen Peroxide; Molecular Structure; Oxidation-Reduction--drug effects; Quinones--chemical synthesis; Quinones--chemistry; Quinones--pharmacology; Structure-Activity Relationship; Substrate Specificity; cdc25 Phosphatases--antagonists & inhibitors; cdc25 Phosphatases--metabolism
Other ID: NLM NIHMS123614, NLM PMC2752828
PubMed Central ID: PMC2752828
PubMed ID: 18802630
Date Deposited: 15 Jul 2013 19:55
Last Modified: 22 Jun 2021 12:55
URI: http://d-scholarship.pitt.edu/id/eprint/19276

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