QSAR of the anticonvulsant enaminones; molecular modeling aspects and other assessments.
The enaminones represent potentially useful agents for the clinical treatment in generalized tonic-clonic seizures (Epilepsia, 1993, 34(6), 1141-1145, Biopharm. Drug Disp. 2003, 397-407). A regression analysis was performed to provide a quantitative structure-activity relationship (QSAR) correlation model for prediction of activity for the anticonvulsant enaminones. Molecular modeling was performed to determine the molecular confluence of the Unverferth model (J. Med. Chem. 1998, 41, 63-73) to the enaminones. Conclusions related to the sodium channel model were assessed.
Wilson
T L
TL
Department of Pharmaceutical Sciences, Howard University, School of Pharmacy, Washington, DC 20059, USA.
Jackson
P L
PL
Hanson
C D
CD
Xue
Z
Z
Eddington
N D
ND
Scott
K R
KR
D000818:Animals; D000927:Anticonvulsants / Q000737:chemistry*; D007659:Ketones / Q000737:chemistry* / Q000494:pharmacology; D008297:Male; D051379:Mice; D008954:Models, Biological; D008958:Models, Molecular; D015394:Molecular Structure; D011758:Pyrroles / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D026941:Sodium Channel Blockers / Q000737:chemistry*
D000927:Anticonvulsants; D007659:Ketones; D011758:Pyrroles; D026941:Sodium Channel Blockers