Ionization-specific QSAR models of blood-brain penetration of drugs

Chemistry and Biodiversity

Volumn 6, Issue 11, 2009, Pages 2050-2054

  Lanevskij, Kiril ^a,b   Japertas, Pranas ^a   Didziapetris, Remigijus ^a   Petrauskas, Alanas ^a  

^a ACD/Labs Inc   (Lithuania)

^b VILNIUS UNIVERSITY   (Lithuania)

Author keywords

[No Author keywords available]

Indexed keywords

CENTRAL NERVOUS SYSTEM AGENTS;

BLOOD BRAIN BARRIER; CELL MEMBRANE PERMEABILITY; CENTRAL NERVOUS SYSTEM; CONFERENCE PAPER; DRUG DIFFUSION; DRUG DISTRIBUTION; DRUG PENETRATION; DRUG PROTEIN BINDING; DRUG TRANSPORT; DRUG UPTAKE; IONIZATION; LIPOPHILICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEADY STATE;

ALGORITHMS; ANIMALS; BLOOD-BRAIN BARRIER; DATABASES, FACTUAL; DIFFUSION; LIPID BILAYERS; LIPIDS; MICE; MODELS, MOLECULAR; NONLINEAR DYNAMICS; PERMEABILITY; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS;

MUS; RATTUS;

EID: 72449192231     PISSN: 16121872     EISSN: 16121880     Source Type: Journal    
DOI: 10.1002/cbdv.200900079     Document Type: Conference Paper

References (18)

1. M. Hammarlund-Udenaes, M. Fridén, S. Syvänen, A. Gupta, Pharm. Res. 2008, 25, 1737.
2. N. J. Abbott, Drug Discovery Today, Technol. 2004, 1, 407.
3. U. Bickel, NeuroRx 2005, 2, 15.
4. M. H. Abraham, Eur. J. Med. Chem. 2004, 39, 235.
5. J. A. Gratton, M. H. Abraham, M. W. Bradbury, H. S. Chadha, J. Pharm. Pharmacol. 1997, 49, 1211.
6. V. A. Levin, J. Med. Chem. 1980, 23, 682.
7. X. Liu, M. Tu, R. S. Kelly, C. Chen, B. J. Smith, Drug. Metab. Dispos. 2004, 32, 132.
8. J. M. Luco, E. Marchevsky, Curr. Comput.-Aided Drug Des. 2006, 2, 31.
9. L. Zhang, H. Zhu, T. I. Oprea, A. Golbraikh, A. Tropsha, Pharm. Res. 2008, 25, 1902.
10. K. Lanevskij, P. Japertas, R. Didziapetris, A. Petrauskas, J. Pharm. Sci. 2009, 98, 122.
11. C. Dagenais, C. Rousselle, G. M. Pollack, J.-M. Scherrmann, J. Cereb. Blood Flow Metab. 2000, 20, 381.
12. A. Avdeef, 'Absorption and Drug Development: Solubility, Permeability and Charge State.' Wiley-Interscience, Hoboken, NJ, 2003.
13. H. Kubinyi, J. Med. Chem. 1977, 20, 625.
14. R, Program for Statistical Computing, Department of Statistics and Mathematics, Wirtschaftsuniversität Wien, 2008.
15. P. Jeffrey, S. G. Summerfield, Xenobiotica 2007, 37, 1135.
16. X. Liu, B. J. Smith, C. Chen, E. Callegari, S. L. Becker, X. Chen, J. Cianfrogna, A. C. Doran, S. D. Doran, J. P. Gibbs, N. Hosea, J. Liu, F. R. Nelson, M. A. Szewc, J. Van Deusen, J. Pharmacol. Exp. Ther. 2005, 313, 1254.
17. X. Liu, C. Chen, B. J. Smith, J. Pharmacol. Exp. Ther. 2008, 325, 349.
18. M. Adenot, R. Lahana, J. Chem. Inf. Comput. Sci. 2004, 44, 239.