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Allostery and population shift in drug discovery

  1. Author:
    Kar, G.
    Keskin, O.
    Gursoy, A.
    Nussinov, R.

  2. Author Address

    [Nussinov, Ruth] NCI, Basic Sci Program, SAIC Frederick Inc, Ctr Canc Res,Nanobiol Program, Frederick, MD 21702 USA. [Kar, Gozde; Keskin, Ozlem; Gursoy, Attila] Koc Univ, Ctr Computat Biol & Bioinformat, TR-34450 Istanbul, Turkey. [Kar, Gozde; Keskin, Ozlem; Gursoy, Attila] Koc Univ, Coll Engn, TR-34450 Istanbul, Turkey. [Nussinov, Ruth] Tel Aviv Univ, Sackler Inst Mol Med, Dept Human Genet & Mol Med, Sackler Sch Med, IL-69978 Tel Aviv, Israel.;Nussinov, R, NCI, Basic Sci Program, SAIC Frederick Inc, Ctr Canc Res,Nanobiol Program, Frederick, MD 21702 USA.
    1. Year: 2010
    2. Date: Dec
  2. Journal: Current Opinion in Pharmacology
    1. 10
    2. 6
    3. Pages: 715-722
  4. Type of Article: Article
  5. ISSN: 1471-4892
  1. Abstract:

    Proteins can exist in a large number of conformations around their native states that can be characterized by an energy landscape The landscape illustrates individual valleys, which are the conformational substates From the functional standpoint there are two key points first, all functionally relevant substates pre-exist, and second the landscape is dynamic and the relative populations of the substates will change following allosteric events Allosteric events perturb the structure and the energetic strain propagates and shifts the population This can lead to changes in the shapes and properties of target binding sites Here we present an overview of dynamic conformational ensembles focusing on allosteric events in signaling We propose that combining equilibrium fluctuation concepts with genomic screens could help drug discovery

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External Sources

  1. View Full Text
  2. DOI: 10.1016/j.coph.2010.09.002
  3. View record in Web of Science®
  4. WOS: 000284749400017

Library Notes

  1. Fiscal Year: FY2010-2011
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