ORBi: Dilly Sébastien - The 5-HT1A agonism potential of substituted-piperazine-ethyl-amide derivatives is conserved in the hexyl homologues: molecular modeling and pharmacological evaluation

Reference : The 5-HT1A agonism potential of substituted-piperazine-ethyl-amide derivatives is conser...


	Document type :	Scientific journals : Article
	Discipline(s) :	Engineering, computing & technology : Computer science Human health sciences : Pharmacy, pharmacology & toxicology
	To cite this reference:	http://hdl.handle.net/2268/99156

Title :	The 5-HT1A agonism potential of substituted-piperazine-ethyl-amide derivatives is conserved in the hexyl homologues: molecular modeling and pharmacological evaluation
Language :	English
Author, co-author :	Dilly, Sébastien [Université de Liège - ULg > Département de Pharmacie / GIGA-Neuroscience > Chimie Pharmaceutique / Pharmacologie > >]
	Scuvée-Moreau, Jacqueline [Université de Liège - ULg > Département des sciences biomédicales et précliniques > Pharmacologie >]
	Wouters, Johan [Université de Namur > Département de Chimie > > >]
	Liégeois, Jean-François [Université de Liège - ULg > Département de pharmacie > Chimie pharmaceutique >]
Publication date :	2011
Journal title :	Journal of Chemical Information & Modeling
Publisher :	American Chemical Society
Volume :	51
Issue/season :	11
Pages :	2961-2966
Audience :	International
ISSN :	1549-9596
e-ISSN :	1549-960X
Keywords :	[en] homologous series ; agonist ; GPCR ; homology modeling ; docking ; serotonergic neurons ; extracellular recordings ; brain slice ; dorsal raphe ; rat
Abstract :	[en] In a series of carboxamide and sulphonamide alkyl (ethyl to hexyl) piperazine analogues, although the size of the linker is very different, ethyl and hexyl derivatives possess a high affinity for 5-HT1A receptors. Docking studies clearly show that hexyl and ethyl compounds favourably interact with the binding site of the active conformation of 5-HT1A receptors, thus confirming a possible agonist profile. This activity is effectively detected in electrophysiological experiments in which all four compounds inhibit the activity of rat dorsal raphe serotonergic neurons.
Research units :	Département de pharmacie / Chimie pharmaceutique ; Giga-Neurosciences / Pharmacologie
Funders :	Fonds de la Recherche Scientifique-FNRS (F.R.S.-FNRS) ; Fonds Spéciaux pour la Recherche de l'Université de Liège
Target :	Researchers ; Professionals ; Students
Permalink :	http://hdl.handle.net/2268/99156

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