QSAR studies on carbonic anhydrase inhibitors: a case of ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides.
QSAR studies on modelling of biological activity (hCAI) for a series of ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides have been made using a pool of topological indices. Regression analysis of the data showed that excellent results were obtained in multiparametric correlations upon introduction of indicator parameters. The predictive abilities of the models are discussed using cross-validation parameters.
Agrawal
Vijay K
VK
QSAR and Chemical Laboratories, A.P.S. University, Rewa-486 003, India. vijay-agarwal@lycos.com
Sharma
Ruchi
R
Khadikar
Padmakar V
PV
D000818:Animals; D002257:Carbonic Anhydrase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D002417:Cattle; D006571:Heterocyclic Compounds; D006801:Humans; D006841:Hydrocarbons, Aromatic; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology; D013890:Thiourea; D014508:Urea
D002257:Carbonic Anhydrase Inhibitors; D006571:Heterocyclic Compounds; D006841:Hydrocarbons, Aromatic; D013449:Sulfonamides; D014508:Urea; D013890:Thiourea