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A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

OLDŘICH FARSA^1*, MATĚJ HALUSKA^1,2

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A collection of 52 compounds with inhibitory activities, expressed as the inhibition constant Ki, against aminopeptidase N (APN) was assembled from diverse literature resources. The relationships between activities and physicochemical parameters derived from the structures were then searched using linear or multilinear regression analysis. Regression models of 1st and 2nd orders were used for this purpose. Three single-parametric model of dependence of log Ki on the partition coefficient logarithm (log P), dipole moment (p) and molecular surface area (MSA) respectively were significant. Two bi-parametric models containing log P and p or MSA respectively reached higher significance. The only tri-parametric model containing all the three above parameters was shown to be the best. This model is useful for activities predictions of compounds proposed for synthesis as potential APN inhibitors.