AM1-based model system for estimation of brain/blood concentration ratios

International Journal of Quantum Chemistry

Volumn 60, Issue 8, 1996, Pages 1775-1787

  Brewster, Marcus E ^a,b   Pop, Emil ^a,b   Huang, Ming Ju ^b   Bodor, Nicholas ^b  

^a Pharmos Corporation   (United States)

^b UNIVERSITY OF FLORIDA HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0005529659     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)60:8<1775::AID-QUA5>3.0.CO;2-V     Document Type: Article

References (23)

1. W. C. Young, R. M. Mitchell, T. H. Brown, C. R. Ganellin, R. Griffiths, M. Jones. K. K. Rana, D. Saunders, I. R. Smith, N. E. Sore, and T. J. Wilks, J. Med. Chem. 31, 656 (1988).
2. V. A. Levin, J. Med. Chem. 23, 682 (1980).
3. E. M. Cornford, L. D. Braun, W. H. Oldendorf, and M. A. Hill, Am. J. Physiol. 243, C161 (1982).
4. W. R. Glave and C. Hansch, J. Pharm. Sci. 61, 589 (1972).
5. M. A. Abraham, H. S. Chadha, and R. C. Mitchell, J. Pharm. Sci. 83, 1257 (1994).
6. M. H. Abraham, H. S. Chadha, G. S. Whiting, and R. C. Mitchell, J. Pharm. Sci. 83, 1085 (1994).
7. R. W. Taft, M. H. Abraham, G. R. Famimi, R. M. Doherty, J. M. Abboud, and M. J. Kamlet, J. Pharm. Sci. 74, 807 (1985).
8. M. J. Kamlet, R. M. Doherty, M. H. Abraham, and R. W. Taft, Quant. Struct.-Act. Relat. 7, 71 (1988).
9. M. H. Abraham and P. K. Weathersby, J. Pharm. Sci. 83, 1450 (1994).
10. N. Bodor and M-J. Huang, J. Pharm. Sci. 81, 272 (1992).
11. N. Bodor, Z. Gabanyi, and C. K. Wong, J. Am. Chem. Soc. 111, 3783 (1989).
12. M-J. Huang, D. Doerge, N. Bodor, E. Pop, and M. E. Brewster, Int. J. Quant. Chem:Quant. Biol. Symp. 22, 171 (1995).
13. M. J. S. Dewar and D. M. Storch, J. Am. Chem. Soc. 107, 3898 (1985).
14. M. J. S. Dewar, E. Zoebisch, E. Healy, and J. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
15. J. Head and M. Zerner, Chem. Phys. Lett. 122, 264 (1985).
16. R. Pearson, Proc. Natl. Acad. Sci. USA 83, 8440 (1986).
17. R. Pearson, J. Chem. Educ. 64, 561 (1987).
18. M. E. Brewster, J. W. Simpkins, and N. Bodor, Rev. Neurosci. 2, 241 (1990).
19. N. Bodor and M. E. Brewster, in Handbook of Experimental Pharmacology, Vol. 100, R. L. Juliano, Ed., (Springer-Verlag, Berlin, 1991, pp. 231-284).
20. J. A. D. Calder and C. R. Ganellin, Drug Design Deliv. 11, 259 (1994).
21. M. H. Abraham, G. D. Nielsen, and Y. Alarie, J. Pharm. Sci. 83, 680 (1994).
22. N. E. Tayar, R-S. Tsai, B. Testa, P-A. Carrupt, and A. Leo, J. Pharm. Sci. 80, 590 (1991).
23. D. E. Leahy, J. J. Morris, P. J. Taylor, and A. R. Wait, J. Chem. Soc. Perkin Trans. 2, 1451 (1992).