ORBi: Dilly Sébastien - Identification of a pharmacophore of SKCa channel blockers

Reference : Identification of a pharmacophore of SKCa channel blockers


	Document type :	Scientific journals : Article
	Discipline(s) :	Human health sciences : Pharmacy, pharmacology & toxicology Physical, chemical, mathematical & earth Sciences : Chemistry Life sciences : Biochemistry, biophysics & molecular biology
	To cite this reference:	http://hdl.handle.net/2268/40480

Title :	Identification of a pharmacophore of SKCa channel blockers
Language :	English
Author, co-author :	Dilly, Sébastien [Université de Liège - ULg > Département des sciences biomédicales et précliniques > Pharmacologie >]
	Graulich, Amaury [Université de Liège - ULg > > Chimie pharmaceutique >]
	Farce, Amaury [> > > >]
	Seutin, Vincent [Université de Liège - ULg > Département des sciences biomédicales et précliniques > Pharmacologie >]
	Liégeois, Jean-François [Université de Liège - ULg > Département de pharmacie > Chimie pharmaceutique >]
	Chavatte, Philippe [> > > >]
Publication date :	Dec-2005
Journal title :	Journal of Enzyme Inhibition and Medicinal Chemistry
Publisher :	Taylor & Francis Ltd
Volume :	20
Issue/season :	6
Pages :	517-523
Audience :	International
ISSN :	1475-6366
City :	Abingdon
Keywords :	[en] 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.
Target :	Researchers ; Professionals
Permalink :	http://hdl.handle.net/2268/40480

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