QSAR study on pK(a) vis-à-vis physiological activity of sulfonamides: a dominating role of surface tension (inverse steric parameter).
The paper describes the dominating role of surface tension (ST) on the modeling, monitoring, and estimating pK(a) for a large series of 43 substituted sulfonamides. Because of the direct correlation of ST with parachor (Pc) vis-a-vis molecular volume (MV), ST is considered as a steric parameter. Single as well as multi-parametric regressions have indicated that ST has a dominating role in QSAR of the set of sulfonamides used and that excellent results are obtained in multi-parametric regression analysis. The results are discussed critically on the basis of statistical parameters.
Thakur
Mamta
M
Department of Chemistry, Softvision College of Biotechnology and Science, 13 Green Park Colony, Indore, India.
Thakur
Abhilash
A
Khadikar
Padmakar V
PV
Supuran
Claudiu T
CT
D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology*; D013500:Surface Tension
D013449:Sulfonamides