6533b7d1fe1ef96bd125d6ea

RESEARCH PRODUCT

Correlation of Pharmacological Properties of a Group of Hypolipaemic Drugs by Molecular Topology

F. J. García-marchM. T. Salabert-salvadorFacundo Pérez-giménezJ. Gálvez‐alvarezR. A. Cercós-del-pozoG. M. Antón-fos

subject

Molecular modelStereochemistryDegrees of freedom (statistics)Pharmaceutical ScienceModels BiologicalCross-validationLethal Dose 50CorrelationStructure-Activity RelationshipFenofibrateGoodness of fitAnimalsMultiple correlationFuransHypolipidemic AgentsPharmacologyChemistryBlood ProteinsRegressionRatsCholesterolProbucolStandard errorRegression AnalysisBiological systemProtein Binding

description

Abstract 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.

https://doi.org/10.1111/j.2042-7158.1996.tb05909.x