Correlation of pharmacological properties of a group of hypolipaemic drugs by molecular topology.
This investigation was undertaken to test the ability of the molecular connectivity model to predict the percentage of plasma protein binding, the percentage of total cholesterol reduction and oral LD50 in rats of a group of hypolipaemic drugs using multi-variable regression equations with multiple correlation coefficients, standard error of estimate, degrees of freedom, F-Snedecor function values, Mallow's CP and Student's t-test as criteria of fit. Regression analyses showed that the molecular connectivity model predicts these properties. Corresponding stability (cross validation) studies were made on the selected prediction models which confirmed their goodness of fit. The results also demonstrated that the presence of substituents and molecular volume, determine the value of these properties in hypolipaemic drugs.
Cercós-del-Pozo
R A
RA
Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.
Pérez-Giménez
F
F
Gálvez-Alvarez
J
J
Salabert-Salvador
M T
MT
Garcia-March
F J
FJ
Antón-Fos
G M
GM
D000818:Animals; D001798:Blood Proteins / Q000378:metabolism; D002784:Cholesterol / Q000097:blood*; D011345:Fenofibrate / Q000737:chemistry; D005663:Furans / Q000737:chemistry; D000960:Hypolipidemic Agents / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D007928:Lethal Dose 50; D008954:Models, Biological; D011341:Probucol / Q000737:chemistry; D011485:Protein Binding; D051381:Rats; D012044:Regression Analysis; D013329:Structure-Activity Relationship
D001798:Blood Proteins; D005663:Furans; D000960:Hypolipidemic Agents; D002784:Cholesterol; C036804:acifran; D011341:Probucol; D011345:Fenofibrate