QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index.
QSAR study on benzenesulphonamide carbonic anhydrase inhibitors has been made using the most discriminatory Balaban index (J). The regression analysis has shown that even in monoparametric regression this index gave excellent results. Furthermore, using the combination of the Balaban Index (J) with the first-order Randic connectivity index ((1)chi) and indicator parameters, tremendous improvement in the statistics has been observed. The results are critically discussed on the basis of regression data and cross-validation parameters.
Thakur
Abhilash
A
Department of Chemistry, Bhopal Institute of Technology and Science, Bhopal, India.
Thakur
Mamta
M
Khadikar
Padmakar V
PV
Supuran
Claudiu T
CT
Sudele
Purushottam
P
D002257:Carbonic Anhydrase Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D002256:Carbonic Anhydrases / Q000378:metabolism*; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology; D000096926:Benzenesulfonamides
D002257:Carbonic Anhydrase Inhibitors; D002256:Carbonic Anhydrases; D013449:Sulfonamides; D000096926:Benzenesulfonamides