ADME Data for polyphenols characterized by reversed-phase thin-layer chromatography

The chromatographic behavior of polyphenols (flavonoids and phenolic acids) has been investigated by reversed-phase thin-layer chromatography (RP-TLC) to establish relationships between chromatographic data and selected ADME ( a bsorption, d istribution, m etabolism, and e limination) data. Good correlation between chromatographic RM values (a measure of the interactions of the solute with the lipophilic stationary phase and with the hydrophilic mobile phase) and the concentration of the buffer in the mobile phase ( r ≥ 0.994) might be taken as a measure of the suitability of the system for estimation of the lipophilicity of the polyphenols. Experimentally obtained RMw values (a measure of the interactions of the solute with the lipophilic stationary phase and with pure water as mobile phase) and ϕ0 (the volume fraction of organic modifier/buffer in the mobile phase for which retention is zero) were compared with ADME data calculated by software packages based on different theoretical approaches. From our results we could establish correlations between chromatographic behavior and lipophilicity, solubility, plasma-protein binding, and oral absorption of the polyphenols investigated.