A high-throughput cell-based method to predict the unbound drug fraction in the brain

Journal of Medicinal Chemistry

Volumn 57, Issue 7, 2014, Pages 3005-3010

  Mateus, André ^a,b   Matsson, Pär ^a,c   Artursson, Per ^a,c  

^a UPPSALA UNIVERSITY   (Sweden)

^b RESEARCH INSTITUTE FOR MEDICINES IMED ULISBOA   (Portugal)

^c SCIENCE FOR LIFE LABORATORY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALPRAZOLAM; ALPRENOLOL; AMPRENAVIR; BUPIVACAINE; CARBAMAZEPINE; CHLORPROPAMIDE; CIMETIDINE; CITALOPRAM; CLOMIPRAMINE; DEXTROMETHORPHAN; DIAZEPAM; DICLOFENAC; HALOPERIDOL; IMIPRAMINE; INDINAVIR; INDOMETACIN; KETOCONAZOLE; LIDOCAINE; LOPERAMIDE; LORATADINE; MEVINOLIN; NICARDIPINE; ONDANSETRON; OXAZEPAM; PROGESTERONE; RITONAVIR; SALAZOSULFAPYRIDINE; SAQUINAVIR; TELMISARTAN; UNINDEXED DRUG;

ANALYTICAL ERROR; ANIMAL TISSUE; ARTICLE; BRAIN; BRAIN HOMOGENATE; BRAIN TISSUE; CELL FREE SYSTEM; CELL STRAIN HEK293; CELL STRUCTURE; CONTROLLED STUDY; DIALYSIS; DRUG BINDING; DRUG EXPOSURE; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN CELL; NONHUMAN; PHYSICAL CHEMISTRY;

ANIMALS; BRAIN; DIALYSIS; HEK293 CELLS; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; PHARMACEUTICAL PREPARATIONS; SPECTROMETRY, MASS, MATRIX-ASSISTED LASER DESORPTION-IONIZATION;

EID: 84898401732     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm401963n     Document Type: Article

References (15)

1. Boje, K. M. K. In vivo measurement of blood-brain barrier permeability. In Current Protocols in Neuroscience; John Wiley & Sons, Inc.: New York, 2001.
2. Read, K. D.; Braggio, S. Assessing brain free fraction in early drug discovery Expert Opin. Drug Metab. Toxicol. 2010, 6, 337-344
3. Smith, D. A.; Di, L.; Kerns, E. H the effect of plasma protein binding on in vivo efficacy: misconceptions in drug discovery Nat. Rev. Drug Discovery 2010, 9, 929-939
4. Boschi, G.; Scherrmann, J. Microdialysis in mice for drug delivery research Adv. Drug Delivery Rev. 2000, 45, 271-281
5. Liu, X.; Smith, B. J.; Chen, C.; Callegari, E.; Becker, S. L.; Chen, X.; Cianfrogna, J.; Doran, A. C.; Doran, S. D.; Gibbs, J. P.; Hosea, N.; Liu, J.; Nelson, F. R.; Szewc, M. A.; Van Deusen, J. Evaluation of cerebrospinal fluid concentration and plasma free concentration as a surrogate measurement for brain free concentration Drug Metab. Dispos. 2006, 34, 1443-1447
6. Gupta, A.; Chatelain, P.; Massingham, R.; Jonsson, E. N.; Hammarlund-Udenaes, M. Brain distribution of cetirizine enantiomers: comparison of three different tissue-to-plasma partition coefficients: K(p), K(p,u), and K(p,uu) Drug Metab. Dispos. 2006, 34, 318-323
7. Fridén, M.; Bergström, F.; Wan, H.; Rehngren, M.; Ahlin, G.; Hammarlund-Udenaes, M.; Bredberg, U. Measurement of unbound drug exposure in brain: modeling of pH partitioning explains diverging results between the brain slice and brain homogenate methods Drug Metab. Dispos. 2011, 39, 353-362
8. Kalvass, J. C.; Maurer, T. S. Influence of nonspecific brain and plasma binding on CNS exposure: implications for rational drug discovery Biopharm. Drug Dispos. 2002, 23, 327-338
9. Longhi, R.; Corbioli, S.; Fontana, S.; Vinco, F.; Braggio, S.; Helmdach, L.; Schiller, J.; Boriss, H. Brain tissue binding of drugs: evaluation and validation of solid supported porcine brain membrane vesicles (TRANSIL) as a novel high-throughput method Drug Metab. Dispos. 2011, 39, 312-321
10. Mateus, A.; Matsson, P.; Artursson, P. Rapid measurement of intracellular unbound drug concentrations Mol. Pharmaceutics 2013, 10, 2467-2478
11. Di, L.; Umland, J. P.; Chang, G.; Huang, Y.; Lin, Z.; Scott, D. O.; Troutman, M. D.; Liston, T. E. Species independence in brain tissue binding using brain homogenates Drug Metab. Dispos. 2011, 39, 1270-1277
12. Lanevskij, K.; Dapkunas, J.; Juska, L.; Japertas, P.; Didziapetris, R. QSAR analysis of blood-brain distribution: the influence of plasma and brain tissue binding J. Pharm. Sci. 2011, 100, 2147-2160
13. Wan, H.; Rehngren, M.; Giordanetto, F.; Bergström, F.; Tunek, A. High-throughput screening of drug-brain tissue binding and in silico prediction for assessment of central nervous system drug delivery J. Med. Chem. 2007, 50, 4606-4615
14. Benet, L. Z.; Broccatelli, F.; Oprea, T. I. BDDCS applied to over 900 drugs AAPS J. 2011, 13, 519-547
15. Karlgren, M.; Ahlin, G.; Bergström, C. A.; Svensson, R.; Palm, J.; Artursson, P. In vitro and in silico strategies to identify OATP1B1 inhibitors and predict clinical drug-drug interactions Pharm. Res. 2011, 29, 411-426