A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF
AMINOPEPTIDASE N INHIBITORS
OLDŘICH FARSA1*, MATĚJ HALUSKA1,2
1Department of Chemical Drugs, Faculty of Pharmacy, University of Veterinary and Pharmaceutical Sciences Brno,
Palackého 1/3, Brno, 612 42, Czech Republic
2State Institute for Drug Control, Regional Department OKL 406 - Brno, Stará 25, Brno, 602 00, Czech Republic
*corresponding author: farsao@vfu.cz
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Abstract:
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.

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