QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor

J Med Chem. 2004 Mar 25;47(7):1860-3. doi: 10.1021/jm0310838.

Abstract

A quantitative structure-activity relationship (QSAR) study was performed on a set of 49 negative allosteric modulators of AMPA receptor, acting as anticonvulsant agents, using multiple linear regression. The predictive ability of the resulting model was evaluated against a set of 12 compounds; the results showed good statistics in regression and revealed high correlation between anticonvulsant activity and some electrotopological descriptors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Allosteric Regulation
  • Anticonvulsants / chemistry*
  • Anticonvulsants / pharmacokinetics
  • Anticonvulsants / pharmacology
  • Benzodiazepines / chemistry
  • Benzodiazepines / pharmacokinetics
  • Benzodiazepines / pharmacology
  • Excitatory Amino Acid Antagonists / chemistry*
  • Excitatory Amino Acid Antagonists / pharmacokinetics
  • Excitatory Amino Acid Antagonists / pharmacology
  • Isoquinolines / chemistry
  • Isoquinolines / pharmacokinetics
  • Isoquinolines / pharmacology
  • Linear Models
  • Models, Biological
  • Phthalazines / chemistry
  • Phthalazines / pharmacokinetics
  • Phthalazines / pharmacology
  • Quantitative Structure-Activity Relationship
  • Receptors, AMPA / antagonists & inhibitors*
  • Receptors, AMPA / chemistry

Substances

  • Anticonvulsants
  • Excitatory Amino Acid Antagonists
  • Isoquinolines
  • Phthalazines
  • Receptors, AMPA
  • Benzodiazepines