QSAR analysis of hypoglycemic agents using the topological indices.
The molecular topology model and discriminant analysis have been applied to the prediction of some pharmacological properties of hypoglycemic drugs using multiple regression equations with their statistical parameters. Regression analysis showed that the molecular topology model predicts these properties. The corresponding stability (cross-validation) studies performed on the selected prediction models confirmed the goodness of the fits. The method used for hypoglycemic activity selection was a linear discriminant analysis (LDA). We make use of the pharmacological distribution diagrams (PDDs) as a visualizing technique for the identification and selection of new hypoglycemic agents, and we tested on rats the predictive ability of the model.
Murcia-Soler
M
M
Department of Physical Chemistry, Faculty of Pharmacy, Universitat de València, Av. Vicent Andrés Estellés, s/n. 46100 Burjassot, Valencia, Spain.
Pérez-Giménez
F
F
Nalda-Molina
R
R
Salabert-Salvador
M T
MT
García-March
F J
FJ
Cercós-del-Pozo
R A
RA
Garrigues
T M
TM
D000818:Animals; D003198:Computer Simulation; D015195:Drug Design; D007004:Hypoglycemic Agents / Q000737:chemistry* / Q000494:pharmacology*; D016014:Linear Models; D021281:Quantitative Structure-Activity Relationship; D051381:Rats; D012044:Regression Analysis
D007004:Hypoglycemic Agents