Article (Scientific journals)
Identification of a pharmacophore of SKCa channel blockers
Dilly, Sébastien; Graulich, Amaury; Farce, Amaury et al.
2005In Journal of Enzyme Inhibition and Medicinal Chemistry, 20 (6), p. 517-523
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Keywords :
SK channels; blockers; apamin; dequalinium; pharmacophore; model
Abstract :
[en] Small conductance calcium-activated potassium channels ( SK) are widely expressed throughout the central nervous system ( CNS) and the periphery. Three subtypes of SK channels have so far been identified in different parts of the brain. Activation of the SK channels by a rise in intracellular calcium leads to the hyperpolarisation of the membrane, reducing cell excitability. Blocking the SK channels might be beneficial in the treatment of depression, Parkinson's disease and cognitive disorders. However, few blockers of SK channels have been characterized. In this study, a pharmacophoric model of SK channels blockers is presented. It is based on a series of nonpeptidic compounds and apamin, a peptidic blocker. To create the pharmacophore model, the conformational space of nonpeptidic blockers was investigated to generate a series of distance constraints applied to a simulated annealing study of apamin. The resulting conformation was superimposed with the nonpeptidic blockers to give a pharmacophore.
Disciplines :
Biochemistry, biophysics & molecular biology
Pharmacy, pharmacology & toxicology
Chemistry
Author, co-author :
Dilly, Sébastien ;  Université de Liège - ULiège > Département des sciences biomédicales et précliniques > Pharmacologie
Graulich, Amaury ;  Université de Liège - ULiège > Chimie pharmaceutique
Farce, Amaury
Seutin, Vincent ;  Université de Liège - ULiège > Département des sciences biomédicales et précliniques > Pharmacologie
Liégeois, Jean-François ;  Université de Liège - ULiège > Département de pharmacie > Chimie pharmaceutique
Chavatte, Philippe
Language :
English
Title :
Identification of a pharmacophore of SKCa channel blockers
Publication date :
December 2005
Journal title :
Journal of Enzyme Inhibition and Medicinal Chemistry
ISSN :
1475-6366
eISSN :
1475-6374
Publisher :
Taylor & Francis Ltd, Abingdon, United Kingdom
Volume :
20
Issue :
6
Pages :
517-523
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 26 February 2010

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