RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands

Abstract

The chromatographic behavior of 16 alpha adrenergic and imidazoline receptor ligands has been studied by reversed-phase thin-layer chromatography (RP-TLC). Retention constant RM 0 has been determined for all tested compounds in two different chromatographic systems (tetrahydrofuran-ammonia-water/RP-18, and tetrahydrofuran-ammoniawater/ CN) and together with computed molecular parameters of the examined compounds further used for the quantitative structure–retention relationship (QSRR) study. The QSRR modeling was performed with use of the partial least squares regression (PLS). Obtained results from leave-one out cross-validation (Q2 values: 0.923 and 0.873 for RP-18 and CN stationary phase, respectively) and external test set prediction (root mean square error of prediction, RMSEP: 0.339 and 0.218, for RP-18 and CN stationary phase, respectively) were proved high predictive power of the proposed models.