Article (Scientific journals)
Les activateurs de canaux potassiques: étude structurale comparative du pinacidil, du diazoxide et du cromakalim
Dupont, Léon; Pirotte, Bernard; De Tullio, Pascal et al.
1995In Annales Pharmaceutiques Françaises, 53 (5), p. 201-208
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Keywords :
KATP channel openers; pinacidil; conformational study
Abstract :
[en] A conformational analysis has been performed with SYBYL starting from the energy optimized (Tripos force field) X-ray conformation of (R,S)-pinacidil. The geometry of four selected low energy conformers has been reoptimized using the AM1 semiempirical Molecular Orbital method (MOPAC 5.0), and the total energy of the optimized conformers has been compared. In spite of an apparent structural dissimilarity, a good analogy has been found between the calculated isopotential map of diazoxide and that of at least one selected low energy conformer of pinacidil. It has been suggested that, unlike cromakalim, the low but observable activity of pinacidil on pancreatic B-cells could be explained by adoption for this compound of a conformation having a diazoxide-like stereoelectronical imprint which could assume a similar interaction on the same biological receptor.
Disciplines :
Pharmacy, pharmacology & toxicology
Author, co-author :
Dupont, Léon ;  Cristallographie
Pirotte, Bernard ;  Université de Liège - ULiège > Département de pharmacie > Chimie pharmaceutique
De Tullio, Pascal ;  Université de Liège - ULiège > Département de pharmacie > Chimie pharmaceutique
Masereel, Bernard;  Facultés Universitaires Notre-Dame de la Paix - Namur - FUNDP
Delarge, Jacques;  Université de Liège - ULiège > Chimie Pharmaceutique
Language :
French
Title :
Les activateurs de canaux potassiques: étude structurale comparative du pinacidil, du diazoxide et du cromakalim
Alternative titles :
[en] Potassium Channel Activators: Comparative Structural Study of Pinacidil, Diazoxide and Cromakalim
Publication date :
1995
Journal title :
Annales Pharmaceutiques Françaises
ISSN :
0003-4509
Publisher :
Masson et Cie, Paris, France
Volume :
53
Issue :
5
Pages :
201-208
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 04 December 2009

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