Reference : Les activateurs de canaux potassiques: étude structurale comparative du pinacidil, du di...
Scientific journals : Article
Human health sciences : Pharmacy, pharmacology & toxicology
http://hdl.handle.net/2268/31724
Les activateurs de canaux potassiques: étude structurale comparative du pinacidil, du diazoxide et du cromakalim
French
[en] Potassium Channel Activators: Comparative Structural Study of Pinacidil, Diazoxide and Cromakalim
Dupont, Léon mailto [> > Cristallographie >]
Pirotte, Bernard mailto [Université de Liège - ULg > Département de pharmacie > Chimie pharmaceutique >]
De Tullio, Pascal mailto [Université de Liège - ULg > Département de pharmacie > Chimie pharmaceutique >]
Masereel, Bernard [Facultés Universitaires Notre-Dame de la Paix - Namur - FUNDP > > > > > >]
Delarge, Jacques [Université de Liège - ULG > > > > Chimie Pharmaceutique > >]
1995
Annales Pharmaceutiques Françaises
Masson et Cie
53
5
201-208
Yes (verified by ORBi)
International
0003-4509
Paris
France
[en] KATP channel openers ; pinacidil ; conformational study
[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.
http://hdl.handle.net/2268/31724
also: http://hdl.handle.net/2268/113101

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