Application of thin-layer chromatography in the assessment of bioactivity properties of isatin derivatives

In the last 20 years, isatin and its derivatives stand out as promising precursors in the synthesis of new pharmacologically active compounds. Since it can act as both an electrophile and nucleophile, the possibilities of its structural modification are numerous, which is what makes it an interesting moiety in structure–activity relationship (SAR) studies. The early stages of the study of potentially pharmacologically active compounds involve a detailed analysis of their physicochemical, pharmacokinetic, and toxicological properties. This research deals with studying the chromatographic behavior, lipophilicity, of the series of isatin derivatives by using reversed-phase thin-layer chromatography (RPTLC) as well as with evaluating their important in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) and ecotoxic properties. A comprehensive interpretation of the relationship between the obtained parameters was performed by using the method of multivariate analysis—hierarchical cluster analysis (HCA) and principal component analysis (PCA). Established meaningful mathematical models indicate that the chromatographic parameters obtained by RPTLC (R_M⁰ and m) can be interpreted as reliable descriptors of bioactivity properties of examined isatin derivatives.