Quantitative relationships between molecular descriptors, chromatographic retention behavior, and in vitro antituberculosis activity of phytol derivatives

The lipophilic character of phytol derivatives has been studied using reverse-phase planar chromatographic procedures. Methanol-water and acetonitrile-water binary mixtures as mobile phases with C18 and cyano as stationary phases were used in order to determine the lipophilicity parameters and C0. The classical values were compared with the factor scores obtained by principal component analysis based also on the TLC retention data. Moderate to high correlation between the values and slopes (specific hydrophobic surface area) was observed, which reflects the involvement of secondary interactions in the TLC retention behavior. The phytol derivatives considered in this study were screened for their antituberculosis activity against the H37Rv strain. Chromatographically obtained lipophilicity parameters were correlated with the calculated log P values and minimum inhibitory concentration (MIC) values. Principal component analysis established the dominant pattern in the chromatographic indices. Quantitative st...