Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis.
Linear discriminant analysis was performed to derive discriminant functions based on 2D descriptors and capable of classifying anticonvulsant from non-anticonvulsant compounds. Through application in virtual screening of the discriminant function which performed best in the validation steps, abietic acid was identified as a potential new anticonvulsant agent. The anticonvulsant activity of abietic acid at 30 and 100mg/kg was confirmed in the Maximal Electroshock Test, both orally and intraperitoneally.
Talevi
Alan
A
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Department of Chemistry, Faculty of Exact Sciences, Universidad Nacional de La Plata, B1900 AVV La Plata, Buenos Aires, Argentina.
Cravero
Mariana Sella
MS
Castro
Eduardo A
EA
Bruno-Blanch
Luis E
LE
D045784:Abietanes / Q000008:administration & dosage / Q000494:pharmacology*; D000284:Administration, Oral; D000465:Algorithms; D000818:Animals; D000927:Anticonvulsants; D001185:Artificial Intelligence; D003198:Computer Simulation; D003292:Convulsants; D016002:Discriminant Analysis; D004353:Drug Evaluation, Preclinical; D004597:Electroshock; D007274:Injections, Intraperitoneal; D016014:Linear Models; D051379:Mice; D010433:Pentylenetetrazole; D010616:Phenanthrenes / Q000008:administration & dosage / Q000494:pharmacology*; D004856:Postural Balance / Q000187:drug effects; D013329:Structure-Activity Relationship
D045784:Abietanes; D000927:Anticonvulsants; D003292:Convulsants; D010616:Phenanthrenes; C023710:abietic acid; D010433:Pentylenetetrazole