title: QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices.
abstract: A linear quantitative structure-activity relationship has been developed for a series of para-substituted aromatic sulfonamides by using topological index methodologies. The compounds were studied for their carbonic anhydrase II (CAII) inhibitory activity. A large series of topological indices were calculated and the stepwise regression method was used to derive the most significant model. Very good results were obtained using multi-parametric regressions and showed that the information approach used in the present work is quite useful for modeling carbonic anhydrase inhibition.
authors.affiliation: Laboratory of Organic Chemistry, School of Chemical Engineering, National Technical University of Athens, Zografou Campus, Greece.
authors.forename: Georgia
authors.initials: G
authors.lastname: Melagraki
authors.forename: Antreas
authors.initials: A
authors.lastname: Afantitis
authors.forename: Haralambos
authors.initials: H
authors.lastname: Sarimveis
authors.forename: Olga
authors.initials: O
authors.lastname: Igglessi-Markopoulou
authors.forename: Claudiu T
authors.initials: CT
authors.lastname: Supuran
mesh_terms: D024402:Carbonic Anhydrase II / Q000037:antagonists & inhibitors* / Q000378:metabolism; D002257:Carbonic Anhydrase Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D002257:Carbonic Anhydrase Inhibitors; D013449:Sulfonamides; D024402:Carbonic Anhydrase II