title: QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor.
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.
authors.affiliation: Dipartimento di Chimica e Tecnologia del Farmaco, Università di Perugia, Via del Liceo 1 06123 Perugia, Italy.
authors.forename: Antonio
authors.initials: A
authors.lastname: Macchiarulo
authors.forename: Laura
authors.initials: L
authors.lastname: De Luca
authors.forename: Gabriele
authors.initials: G
authors.lastname: Costantino
authors.forename: Maria Letizia
authors.initials: ML
authors.lastname: Barreca
authors.forename: Rosaria
authors.initials: R
authors.lastname: Gitto
authors.forename: Roberto
authors.initials: R
authors.lastname: Pellicciari
authors.forename: Alba
authors.initials: A
authors.lastname: Chimirri
mesh_terms: D000494:Allosteric Regulation; D000927:Anticonvulsants / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology; D001569:Benzodiazepines / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D018691:Excitatory Amino Acid Antagonists / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology; D007546:Isoquinolines / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D016014:Linear Models; D008954:Models, Biological; D010793:Phthalazines / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship; D018091:Receptors, AMPA / Q000037:antagonists & inhibitors* / Q000737:chemistry
chemical_list: D000927:Anticonvulsants; D018691:Excitatory Amino Acid Antagonists; D007546:Isoquinolines; D010793:Phthalazines; D018091:Receptors, AMPA; D001569:Benzodiazepines