Quantitative structure activity relationships study of amino alcohols derivatives as antifungal agents against Candida. Albicans

Abstract

Quantitative structure activity relationships analysis on a set of synthesized amino alcohols Analogues tested for growth inhibitory antifungal activity was performed by using multiple linear regressions procedure. The activity contributions of these compounds were determined from regression equation and the validation procedures to analyze the predictive ability of QSAR models were described. .The results are discussed on the basis of statistical data. High agreement between experimental and predicted antifungal activity inhibitory values are obtained. To confirm the predictive power of the models, an external set of molecules was used. High agreement between experimental and predicted inhibitory values, obtained in the validation procedure, indicated the good quality of the derived QSAR models.