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Predicting drug penetration across the blood–brain barrier: comparison of micellar liquid chromatography and immobilized artificial membrane liquid chromatography

Mike De Vrieze (UGent) , Frederic Lynen (UGent) , Kai Chen (UGent) , Roman Szucs (UGent) and Patrick Sandra (UGent)
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Abstract
Several in vitro methods have been tested for their ability to predict drug penetration across the blood–brain barrier (BBB) into the central nervous system (CNS). In this article, the performance of a variety of micellar liquid chromatographic (MLC) methods and immobilized artificial membrane (IAM) liquid chromatographic approaches were compared for a set of 45 solutes. MLC measurements were performed on a C18 column with sodium dodecyl sulfate (SDS), polyoxyethylene (23) lauryl ether (Brij35), or sodium deoxycholate (SDC) as surfactant in the micellar mobile phase. IAM liquid chromatography measurements were performed with Dulbecco’s phosphate-buffered saline (DPBS) and methanol as organic modifier in the mobile phase. The corresponding retention and computed descriptor data for each solute were used for construction of models to predict transport across the blood–brain barrier (log BB). All data were correlated with experimental log BB values and the relative performance of the models was studied. SDS-based models proved most suitable for prediction of log BB values, followed closely by a simplified IAM method, in which it could be observed that extrapolation of retention data to 0 % modifier in the mobile phase was unnecessary.
Keywords
PERMEABILITY, DESCRIPTORS, IN-SILICO PREDICTION, Micellar liquid chromatography, Central nervous system, Blood–brain barrier, Immobilized artificial membrane, Modeling, MODELS

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MLA
De Vrieze, Mike, Frederic Lynen, Kai Chen, et al. “Predicting Drug Penetration Across the Blood–brain Barrier: Comparison of Micellar Liquid Chromatography and Immobilized Artificial Membrane Liquid Chromatography.” ANALYTICAL AND BIOANALYTICAL CHEMISTRY 405.18 (2013): 6029–6041. Print.
APA
De Vrieze, M., Lynen, F., Chen, K., Szucs, R., & Sandra, P. (2013). Predicting drug penetration across the blood–brain barrier: comparison of micellar liquid chromatography and immobilized artificial membrane liquid chromatography. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(18), 6029–6041.
Chicago author-date
De Vrieze, Mike, Frederic Lynen, Kai Chen, Roman Szucs, and Patrick Sandra. 2013. “Predicting Drug Penetration Across the Blood–brain Barrier: Comparison of Micellar Liquid Chromatography and Immobilized Artificial Membrane Liquid Chromatography.” Analytical and Bioanalytical Chemistry 405 (18): 6029–6041.
Chicago author-date (all authors)
De Vrieze, Mike, Frederic Lynen, Kai Chen, Roman Szucs, and Patrick Sandra. 2013. “Predicting Drug Penetration Across the Blood–brain Barrier: Comparison of Micellar Liquid Chromatography and Immobilized Artificial Membrane Liquid Chromatography.” Analytical and Bioanalytical Chemistry 405 (18): 6029–6041.
Vancouver
1.
De Vrieze M, Lynen F, Chen K, Szucs R, Sandra P. Predicting drug penetration across the blood–brain barrier: comparison of micellar liquid chromatography and immobilized artificial membrane liquid chromatography. ANALYTICAL AND BIOANALYTICAL CHEMISTRY. 2013;405(18):6029–41.
IEEE
[1]
M. De Vrieze, F. Lynen, K. Chen, R. Szucs, and P. Sandra, “Predicting drug penetration across the blood–brain barrier: comparison of micellar liquid chromatography and immobilized artificial membrane liquid chromatography,” ANALYTICAL AND BIOANALYTICAL CHEMISTRY, vol. 405, no. 18, pp. 6029–6041, 2013.
@article{4105130,
  abstract     = {Several in vitro methods have been tested for their ability to predict drug penetration across the blood–brain barrier (BBB) into the central nervous system (CNS). In this article, the performance of a variety of micellar liquid chromatographic (MLC) methods and immobilized artificial membrane (IAM) liquid chromatographic approaches were compared for a set of 45 solutes. MLC measurements were performed on a C18 column with sodium dodecyl sulfate (SDS), polyoxyethylene (23) lauryl ether (Brij35), or sodium deoxycholate (SDC) as surfactant in the micellar mobile phase. IAM liquid chromatography measurements were performed with Dulbecco’s phosphate-buffered saline (DPBS) and methanol as organic modifier in the mobile phase. The corresponding retention and computed descriptor data for each solute were used for construction of models to predict transport across the blood–brain barrier (log BB). All data were correlated with experimental log BB values and the relative performance of the models was studied. SDS-based models proved most suitable for prediction of log BB values, followed closely by a simplified IAM method, in which it could be observed that extrapolation of retention data to 0 % modifier in the mobile phase was unnecessary.},
  author       = {De Vrieze, Mike and Lynen, Frederic and Chen, Kai and Szucs, Roman and Sandra, Patrick},
  issn         = {1618-2642},
  journal      = {ANALYTICAL AND BIOANALYTICAL CHEMISTRY},
  keywords     = {PERMEABILITY,DESCRIPTORS,IN-SILICO PREDICTION,Micellar liquid chromatography,Central nervous system,Blood–brain barrier,Immobilized artificial membrane,Modeling,MODELS},
  language     = {eng},
  number       = {18},
  pages        = {6029--6041},
  title        = {Predicting drug penetration across the blood–brain barrier: comparison of micellar liquid chromatography and immobilized artificial membrane liquid chromatography},
  url          = {http://dx.doi.org/10.1007/s00216-013-7015-x},
  volume       = {405},
  year         = {2013},
}

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