Multivariate assessment of azo dyes’ biological activity parameters



Vastag G, Apostolov S, Matijević B, Assaleh F.


J Chromatogr B Analyt Technol Biomed Life Sci. 2018 May 1;1084:141-149. doi: 10.1016/j.jchromb.2018.03.035. Epub 2018 Mar 26.


Lipophilicity as key molecular descriptor of potential biological activity for selected derivatives of azo dyes was determined mathematically, by using relevant software packages and by reversed-phase thin-layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water/n-propanol and water/acetone. The obtained chromatographic parameters, R(M)(0) and m, of the examined azo dyes were correlated with the standard measure of lipophilicity, log P, important pharmacokinetic predictors and selected toxicity parameters applying linear regression analysis. Thereby, good correlations for each applied system were obtained (average correlation coefficient, r, 0.944, 0.885 and 0.919). Also, the correlations between the studied parameters of azo dyes were examined applying two multivariate methods (Cluster Analysis and Principal Component Analysis). It was shown that the polarity of the substituent, and to a lesser extent its electronic effects has the greatest influence on the studied parameters of the azo dyes derivatives. Multivariate methods pointed out the similarity of the chromatographic retention constant, R(M)(0), with the parameters of lipophilicity, unlike the chromatographic parameter m, which exhibits better agreement with the toxicity parameters. CI – Copyright © 2018 Elsevier B.V. All rights reserved.

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Link/DOI: 10.1016/j.jchromb.2018.03.035