Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis

Bioorg Med Chem Lett. 2007 Mar 15;17(6):1684-90. doi: 10.1016/j.bmcl.2006.12.098. Epub 2007 Jan 8.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Abietanes / administration & dosage
  • Abietanes / pharmacology*
  • Administration, Oral
  • Algorithms
  • Animals
  • Anticonvulsants*
  • Artificial Intelligence
  • Computer Simulation
  • Convulsants
  • Discriminant Analysis
  • Drug Evaluation, Preclinical
  • Electroshock
  • Injections, Intraperitoneal
  • Linear Models
  • Mice
  • Pentylenetetrazole
  • Phenanthrenes / administration & dosage
  • Phenanthrenes / pharmacology*
  • Postural Balance / drug effects
  • Structure-Activity Relationship

Substances

  • Abietanes
  • Anticonvulsants
  • Convulsants
  • Phenanthrenes
  • abietic acid
  • Pentylenetetrazole