title: QSAR study using topological indices for inhibition of carbonic anhydrase II by sulfanilamides and Schiff bases.
abstract: A QSAR study of two sets of carbonic anhydrase inhibitors is presented using a variety of molecular descriptors including topological indices. The first set consists of 29 benzenesulphonamides, and the second set includes 35 sulphanilamide Schiff bases. Two regression methodologies have been used involving ridge regression and the CODESSA program, and their results are compared with those of previous QSAR studies. Good correlations were found for the former set, and less satisfactory results for the latter set when the number of molecular descriptors is kept below five.
authors.affiliation: Texas A&M University at Galveston, Galveston, TX, USA. balabana@tamug.edu
authors.forename: Alexandru T
authors.initials: AT
authors.lastname: Balaban
authors.forename: Subhash C
authors.initials: SC
authors.lastname: Basak
authors.forename: Adrian
authors.initials: A
authors.lastname: Beteringhe
authors.forename: Denise
authors.initials: D
authors.lastname: Mills
authors.forename: Claudiu T
authors.initials: CT
authors.lastname: Supuran
mesh_terms: D000818:Animals; D024402:Carbonic Anhydrase II / Q000037:antagonists & inhibitors* / Q000737:chemistry*; D006801:Humans; D015233:Models, Statistical; D010100:Oxygen; D020033:Protein Isoforms; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D012545:Schiff Bases / Q000737:chemistry*; D012984:Software; D000077145:Sulfanilamide; D013424:Sulfanilamides / Q000494:pharmacology*; D013449:Sulfonamides / Q000737:chemistry; D000096926:Benzenesulfonamides
chemical_list: D024402:Carbonic Anhydrase II; D010100:Oxygen; D020033:Protein Isoforms; D012545:Schiff Bases; D000077145:Sulfanilamide; D013424:Sulfanilamides; D013449:Sulfonamides; D000096926:Benzenesulfonamides