Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies

Abstract

The objectives of this study were to gain insights into the structure-retention and structure-lipophilicity relationships of series of twenty antidepressants and to propose model for estimating their retention and lipophilicity. The lipophilicity of antidepressants has been determined by reversed-phase thin-layer chromatography using binary methanol-water mobile phases. The chemical structures of the antidepressants have been characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters as well as chromatographically determinated lipophilicity parameters by multiple linear regression analysis. The obtained models were used for interpretation of the lipophilicity and retention behavior of the investigated compounds.