[Hydroxyiminoacetone-like reactivators of phosphorylated cholinesterases. Structure-activity relationships via molecular modelling].
A structure-activity relationships (S.A.R.) is performed on a series of iminocetones acting like reactivators of phosphorylated cholinesterases. The structural and electronic molecular characteristics are computed using a molecular modelling system (Moldesign). A multidimensional statistical analysis point out the role of MEP's which are representative of the whole molecular electronic distribution.
Departement de Chimie Pharmaceutique, U.E.R. Des Sciences Pharmaceutiques, Toulouse, France.
M
M
Bonnafous
J L
JL
Stigliani
Y
Y
Adam
G
G
Grassy
R
R
Boudet Dalbin
J C
JC
Teulade
D000098:Acetophenones / Q000138:chemical synthesis* / Q000494:pharmacology; D002800:Cholinesterase Inhibitors / Q000494:pharmacology; D002801:Cholinesterase Reactivators / Q000138:chemical synthesis* / Q000494:pharmacology; D006801:Humans; D007097:Imines / Q000138:chemical synthesis* / Q000494:pharmacology; D066298:In Vitro Techniques; D008956:Models, Chemical; D010766:Phosphorylation; D013329:Structure-Activity Relationship
D000098:Acetophenones; D002800:Cholinesterase Inhibitors; D002801:Cholinesterase Reactivators; D007097:Imines
Hydroxyiminocétones réactivatrices de cholinestérases phosphorylees. Approche des relations structure-activite par modelisation moleculaire.