Rapid‐gradient HPLC method for measuring drug interactions with immobilized artificial membrane: Comparison with other lipophilicity measures

Separation methods for estimating octanol–water partition coefficients

“…Valko and coworkers [78][79][80][81][82] have described the use of short columns and fast gradients for the determination of a chromatographic hydrophobicity index (CHI), which can be correlated with log P or used as an independent measure of hydrophobicity. These authors assume that in a fast gradient separation each compound migrates as an unretained peak when the appropriate organic solvent concentration reaches the top of the column.…”

“…This requirement is no different to the situation for isocratic models and the failure of the CHI to model log P with the desired accuracy can be laid at the same door. A comparison of the system properties with those of the octanol-water partition coefficient can be made using the solvation parameter model (see Table 3) [79][80][81]. The system constant ratios for the systems employed by Valko and coworkers [78][79][80][81][82] are similar in character but different to the octanol-water partition coefficient.…”

“…A comparison of the system properties with those of the octanol-water partition coefficient can be made using the solvation parameter model (see Table 3) [79][80][81]. The system constant ratios for the systems employed by Valko and coworkers [78][79][80][81][82] are similar in character but different to the octanol-water partition coefficient. In particular, the a/v ratio for log P is close to zero so that log P is virtually insensitive to solute hydrogen-bond acidity whereas all the chromatographic systems are significantly influenced by solute hydrogen-bond acidity.…”

In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery

“…It is also important to have the ability to estimate these in vitro properties from the chemical structure thus helping the design stage of the molecules too. It has been shown that the retention of compounds obtained on the proposed biomimetic stationary phases can be estimated in silico [52][53][54][55], however it is worth noting that the in silico models use 2D molecular descriptors that are not sufficient to estimate the 3D contribution of the molecules binding to proteins, therefore they can be used only as a rough estimations.…”

Application of Liposome Based Sensors in High-Throughput Screening Systems

“…A continuous search for biological membrane model has resulted in a number of assays, including: chromatography based methods (RP-HPLC [120,121], TLC [122]), artificial membranes (arallel membrane permeability assays -PAMPAs [123], immobilized artificial membrane (IAM) chromatography [124,125]), electrokinetic approaches (potentiometric titration [126], capilary electrophoresis [127], spectral gradient analysis -SGA [128]) and partitioning between lipid and water phases [129]. Extensive reviews on these methods have been reported [130,131], and the comparison of their throughput potency is summarized in Table 1.…”