Chromatographic parameters as tools for predicting the biological activity of azo derivatives

Abstract

Preliminary assessment of the bioactive profile of azo derivatives was performed applying drug-likeness rules. As the presumed criteria of lipophilicity chromatographic parameters (RM0, m and C0) were calculated in mixtures water/ methanol and water/ acetonitrile by using reversed phase thin-layer chromatography (RPTLC C18/ UV254s). The relationships between chromatographic parameters and relevant software parameters of biological activity of azo derivatives were examined by linear regression and by two multivariate methods. Good linear relationships for each applied system were obtained. The multivariate methods show similarity of the chromatographic parameters (RM0, C0) with standard measure of lipophilicity and pharmacokinetic predictors. The chromatographic parameter m obtained in the same conditions exhibits better agreement with the drug-likeness and toxicity parameters. On the values of azo derivatives’ bioactivity parameters the polarity of the substituent has higher impact than its electronic effects.