QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor.
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.
Macchiarulo
Antonio
A
Dipartimento di Chimica e Tecnologia del Farmaco, Università di Perugia, Via del Liceo 1 06123 Perugia, Italy.
De Luca
Laura
L
Costantino
Gabriele
G
Barreca
Maria Letizia
ML
Gitto
Rosaria
R
Pellicciari
Roberto
R
Chimirri
Alba
A
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
D000927:Anticonvulsants; D018691:Excitatory Amino Acid Antagonists; D007546:Isoquinolines; D010793:Phthalazines; D018091:Receptors, AMPA; D001569:Benzodiazepines