Abstract
Abstract This chapter describes the application of various separation methods for the measurements of physicochemical and biomimetic properties of early drug discovery compounds. The retention on reversed-phase stationary phases is proportional to the lipophilicity, while the retention using chemically bonded protein stationary phases and immobilized artificial membrane stationary phases is proportional to the protein and phospholipid binding of compounds. The retention in supercritical fluid chromatography can reveal the accessible polar surface area of the compounds, while the retention using orthogonal high-performance liquid chromatography systems can reveal the H-bond acidity, H-bond basicity and dipolarity/polarizability. These properties then can be used to build models to predict the in vivo behaviour of putative drug molecules such as the volume of distribution, drug efficiency, permeability, blood–brain barrier distribution, and so help the design of new drug molecules. Throughout this chapter, examples are given of the application of physicochemical and biomimetic measurement techniques with full and comprehensive explanations.
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