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Quantitative Retention‐Activity Relationship Studies by Liposome Electrokinetic Chromatography to Predict Skin Permeability
Author(s) -
XIAN DeLing,
HUANG KeLong,
LIU SuQin,
XIAO JingYi
Publication year - 2008
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200890127
Subject(s) - chemistry , quantitative structure–activity relationship , molecular descriptor , electrokinetic phenomena , liposome , chromatography , membrane permeability , permeability (electromagnetism) , biological system , membrane , stereochemistry , biochemistry , biology
Liposome electrokinetic chromatography (LEKC) provides a simple and facile approach for drug membrane interactions using liposome as a pseudostationary phase. This study evaluated the potential of LEKC for high‐throughput skin permeability profiled as an in vitro technique. A quantitative retention‐activity relationship (QRAR) model for the estimation of skin permeability was proposed. For the 16 structurally diverse chemicals, lg k correlated well with permeability values ( R 2 =0.886). The predictive ability of the model was evaluated by cross‐validation. The result was compared to traditional quantitative structure‐activity relationship, QSAR, models using some molecular descriptors and physicochemical parameters. Interestingly, a single LEKC retention parameter was capable of describing the skin permeability, while three variables in QSAR were needed to achieve a similar correlation ( R 2 =0.704). The QRAR models developed in this paper may be a useful method to screening new chemicals and in the early stage of development and selection of chemicals.