title: Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis.
abstract: 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.
authors.affiliation: 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.
authors.forename: Alan
authors.initials: A
authors.lastname: Talevi
authors.forename: Mariana Sella
authors.initials: MS
authors.lastname: Cravero
authors.forename: Eduardo A
authors.initials: EA
authors.lastname: Castro
authors.forename: Luis E
authors.initials: LE
authors.lastname: Bruno-Blanch
mesh_terms: 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
chemical_list: D045784:Abietanes; D000927:Anticonvulsants; D003292:Convulsants; D010616:Phenanthrenes; C023710:abietic acid; D010433:Pentylenetetrazole