Structural determinants of drug partitioning in surrogates of phosphatidylcholine bilayer strata.

ABSTRACT: The knowledge of drug concentrations in bilayer headgroups, core, and at the interface between them is a prerequisite for quantitative modeling of drug interactions with many membrane-bound transporters, metabolizing enzymes and receptors, which have the binding sites located in the bilayer. This knowledge also helps understand the rates of trans-bilayer transport because balanced interactions of drugs with the bilayer strata lead to high rates, while excessive affinities for any stratum cause a slowdown. Experimental determination of bilayer location is so tedious and costly that the data are only available for some fifty compounds. To extrapolate these valuable results to more compounds at a higher throughput, surrogate phases have been used to obtain correlates of the drug affinities fo

SUBMITTER: Lukacova V 

PROVIDER: S-EPMC3884577 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature