APPLICATION OF THE CHROMATOGRAPHIC PARAMETERS IN THE ASSESSMENT OF AMIDE DERIVATIVES’ BIOLOGICAL POTENTIAL

Abstract

In silico approach is increasingly used in modern design to establish the qualitative / quantitative dependence between structure, physico-chemical properties and biological activity of the new molecule. The selection and application of appropriate molecular descriptors are important step in this process. Given the presence of the amide group in numerous pharmacologically and biologically active molecules, in the pharmaceutical and chemical industries its formation represents an eternal challenge and a significant transformation in the design of the synthetic plan. Evaluation of the biological potential of selected amide derivatives included theoretical and experimental determination of their lipophilicity, analysis of their bioavailability, study of their pharmacokinetic predictors and ecotoxicity parameters. The parameters (RM0, m and C0) obtained by applying reversed-phase thin layer chromatography (RP TLC18 F254s) in the presence of two organic modifiers, as assumed measures of lipophilicity of the examined amide derivatives were correlated with the studied parameters of biological activity by the linear regression method. The quality of the obtained mathematical models was confirmed by the values of statistical validation parameters.