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Interaction of noncompetitive inhibitors with the alpha 3 beta 2 nicotinic acetylcholine receptor investigated by affinity chromatography and molecular docking

  1. Author:
    Jozwiak, K.
    Ravichandran, S.
    Collins, J. R.
    Moaddel, R.
    Wainer, I. W.

  2. Author Address

    Med Univ Lublin, Dept Chem, PL-20081 Lublin, Poland. NIH, NIA, Gerontol Res Ctr, Baltimore, MD 21224 USA. NCI, SAIC, Adv Biomed Comp Ctr, Ft Detrick, MD 21702 USA.;Jozwiak, K, Med Univ Lublin, Dept Chem, Staszicn 6, PL-20081 Lublin, Poland.;krzysztof.jozwiak@am.lublin.pl
    1. Year: 2007
    2. Date: Nov
  2. Journal: Journal of Medicinal Chemistry
    1. 50
    2. 24
    3. Pages: 6279-6283
  4. Type of Article: Article
  5. ISSN: 0022-2623
  1. Abstract:

    A molecular model of the alpha 3 beta 2 nAChR lumen channel was constructed and hydrophobic clefts were observed near the receptor gate. Docking simulations indicated that ligand-nAChR complexes were formed by hydrophobic interactions with the cleft and hydrogen bond interactions. The equilibrium constants and association and dissociation constant rates associated with the binding interactions were determined using nonlinear chromatography on an immobilized alpha 3 beta 2 nAChR column. The computational-chromatography approach can be used to predict and describe ligand-nAChR interactions.

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External Sources

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  2. DOI: 10.1021/jm070784s
  3. View record in Web of Science®
  4. WOS: 000251181900043

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