A mathematical model for prediction of drug molecule diffusion across the blood-brain barrier

Canadian Journal of Neurological Sciences

Volumn 31, Issue 4, 2004, Pages 520-527

  Burns, Jonathan ^a   Weaver, Donald F ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACEBUTOLOL; ADRENALIN; ALCOHOL; AMFEBUTAMONE; ATENOLOL; ATROPINE; BROMPERIDOL; CARBAMAZEPINE; CHLORPROMAZINE; DIAZEPAM; DOPAMINE; FLUPHENAZINE; HALOPERIDOL; IMIPRAMINE; MESORIDAZINE; METOPROLOL; NORADRENALIN; PHENAZONE; PHENOBARBITAL; PHENYTOIN; PROMAZINE; PROPRANOLOL; PROTIRELIN; RESERPINE; ROLIPRAM; SOTALOL; SULFORIDAZINE; THIORIDAZINE; TRIAMTERENE; UNINDEXED DRUG;

ARTICLE; BIOINFORMATICS; BLOOD BRAIN BARRIER; DRUG DIFFUSION; HUMAN; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; NEUROPHARMACOLOGY; PRIORITY JOURNAL;

EID: 9744257709     PISSN: 03171671     EISSN: None     Source Type: Journal    
DOI: 10.1017/S0317167100003759     Document Type: Article

References (54)

1. Rapoport SI. Blood-Brain Barrier in Physiology and Medicine. New York: Raven Press. 1976: 43-86, 153-176.
2. Pardridge WM. Recent advances in blood-brain barrier transport. Ann Rev Pharmacol Toxicol 1988; 28:25-39.
3. Pardridge WM. Strategies for drug delivery through the blood-brain barrier. Microbiol Aging 1989; 10:636-637.
4. Pardridge WM. Peptide Drug Delivery to the Brain. New York: Raven Press. 1991: 1-11, 23-51, 63-67, 123-134.
5. Banks WA, Kastin AJ. Peptides and the blood-brain barrier: lipophilicity as a predictor of permeability. Brain Res Bull 1985; 15:287-292.
6. Banks WA, Kastin AJ. Peptide transport systems of opiates across the blood-brain barrier. Am J Physiol 1990; 259:E1-E10.
7. Spector R. Fatty acid transport through the blood-brain barrier. J Neurochem 1988; 50:639-643.
8. Levin VA. Relationship of octanol/water partition coefficient and molecular weight to rat brain capillary permeability. J Med Chem 1980; 23:682-684.
9. Cornford EM, Braun LD, Oldendorf WH, Hill MA. Comparison of lipid-mediated blood-brain barrier penetrability in neonates and adults. Am J Physiol 1982; 243:C161-C170.
10. Bezek S, Trnovec T, Scasnar V, et al. Irradiation of the head by 60Co opens the blood-brain barrier for drugs in rats. Experientia 1990; 46:1017-1020.
11. BioByte Corporation (1994) MacLogP™
12. Balaban AT, Motoc I, Bonchev D, Mekenyan O. Topological indices for structure-activity correlations. In: Charton M, Motoc I (Eds). Steric Effects in Drug Design (Topics in Current Chemistry, Vol 114). Berlin: Springer-Verlag, 1983; 21-55.
13. Stein WD. The Movement of Molecules Across Cell Membranes. New York: Academic Press. 1967; 76.
14. Motoc I, Marshall GR. Van der Waals volume fragmental constants. Chem Phys Lett 1985; 116:415-419.
15. Oldendorf WH. Measurement of brain uptake of radiolabeled substances using a tritiated water internal standard. Brain Res 1970; 24:372-376.
16. Montgomery DC, Peck EA. Introduction to Linear Regression Analysis. 2nd ed. New York: John Wiley & Sons. 1992; 103-105, 173-177, 189-192, 265-304, 317-318.
17. Neider JA, McCullagh P. Generalized Linear Models. 2nd ed. London: Chapman & Hall. 1991; 323-356.
18. Hansch C, Steward A, Anderson SM, Bentley D. The parabolic dependence of drug action upon lipophilic character as revealed by a study of hypnotics. J Med Chem 1968; 11:1-11.
19. Cornford EM, Landon KP. Blood-brain barrier transport of CI-912: single passage equilibration of erythrocyte-borne drug. Ther Drug Monit 1985; 7:247-252.
20. Cornford EM, Young D, Paxton JW, Sofia RD. Blood-brain barrier penetration of felbamate. Epilepsia 1992; 33:944-954.
21. Bradbury MW, Bloom DS, McDowell M. An inhibitor of cerebral uptake of noradrenaline in jaundiced blood plasma. J Cerebral Blood Flow Metab 1983; 3:516-520.
22. Oldendorf WH. Brain uptake of radiolabeled amino acids, amines, and hexoses after arterial injection. Am J Physiol 1971: 221:1629.
23. Dayton PG, Pruitt AW, McNay JL, Steinhorst J. Studies with triamterene, a substituted pteridine. Unusual brain to plasma ratio in mammals. Neuropharmacol 1972; 11:435-446.
24. Tsuneizumi T, Babb SM, Cohen BM. Drug distribution between blood and brain as a determinant of antipsychotic drug effects. Biol Psychiatry 1992; 32:817-826.
25. Selig A, Gottschlich R, Devant RM. A method to determine the ability of drugs to diffuse through the blood-brain barrier. Proc Natl Acad Sci USA. 1994; 91:68-72.
26. Schroeder DH. Metabolism and kinetics of bupropion. J Clin Psychiatry 1983; 44:79-91.
27. Friis ML, Christiansen J, Hvidberg EF. Brain concentrations of carbamazepine and carbamazepine-10,11-epoxide in epileptic patients. Eur J Clin Pharmacol 1978; 14:47-51.
28. Watanabe T, Matsuhashi K, Takayama S. Placental and blood-brain barrier transfer following prenatal and postnatal exposures to neuroactive drugs: relationship with partition coefficient and behavioural teratogenesis. Toxicol Appl Pharmacol 1990; 105:66-77.
29. Dubey RK, McAllister CB, Inoue M, Wilkinson GR. Plasma binding and transport of diazepam across the blood-brain barrier. No evidence for in-vivo enhanced dissociation. J Clin Invest 1989; 84:1155-1159.
30. Evans BD, Vogel WH. Penetration of some O-and/or N-Methylated norepinephrine derivatives through the rat blood-brain barrier. Res Comm Chem Path Pharmacol 1977; 17:61-76.
31. Barkai AI, Suckow RF, Cooper TB. Imipramine and its metabolites: relationship to cerebral catecholamines in rats in-vivo. J Pharmacol ExpTher 1984; 230:330-335.
32. Neil-Dyer G, Bartlett J, McAinsh J, Cruickshank JM. Beta-adrenoceptor blockers and BBB. Br J Clin Pharm 1981; 11:549-553.
33. Cornford EM, Diep CP, Pardridge WM. Blood-brain barrier transport of valproic acid. J Neurochem 1985; 44:1541-1550.
34. Tocco DJ, Clineschmidt BV, Duncan AEW, deLuna FA, Bear JE. Uptake of the beta-adrenergic blocking agents propranolol and timolol by rodent brain: relationship to central pharmacological action. J Cardiovasc Pharmacol 1980; 2:133-143.
35. Abernethy DR, Arendt RM, Greenblatt DJ. Pharmacologic properties of acebutolol: relationship of hydrophilicity to central nervous system penetration. Am Heart J 1985; 109:1120-1125.
36. Krause W, Kuhn G. Pharmacokinetics of rolipram in the rhesus and cynomolgus monkeys, the rat and the rabbit. Studies on species differences. Xenobiotica 1988; 18:561-571.
37. MacKenzie E, McCulloch J, Harper AM. Cerebral circulation and norepinephrine: relevance of the blood-brain barrier. Am J Physiol 1976; 231:483-488.
38. Oldendorf WH. Lipid solubility and drug penetration of the blood-brain barrier. Proc Soc Exp Invest 1974; 63:1241-1248.
39. Bezek S, Faberova V, Scasnar V, et al. Pharmacokinetics of carbisocaine in rats and mice. Eur J Drug Metab Pharmacokinet 1988; 13:27-34
40. Pardridge WM. Transport of protein-bound hormones into tissue in-vivo. Endocr Rev 1981; 2:103-123.
41. Scasnar V, Kallay Z, Bezek S, Trnovec T, Durisova M. Pharmacokinetics of the new local anaesthetic N-[2-(2-Heptyloxyphenyl-carbamoyloxy) ethyllpiperidinium chloride in rats and mice. Arzneimittelforschung - Drug Res 1987; 37:783-787.
42. Cornford EM, Bocash WD, Braun LD, et al. Rapid distribution of tryptophol (3-indole ethanol) to the brain and other tissues. J Clin Invest 1979; 63:1241-1248.
43. Zlokovic BV, Segal MB, Begley DJ, Davson H, Rakic L. Permeability of the blood-cerebrospinal fluid and blood-brain barriers to thyrotropin releasing hormone. Brain Res 1985; 358:191-199.
44. Shin WW, Fong WF, Pang SF, Wong PC. Limited blood-brain barrier transport of polyamines. J Neurochem 1985; 44:1056-1059.
45. 5-enkephalin and their N-terminal amino acid (tyrosine). Brain Res 1985; 336:125-132.
46. Engstrom FL, Woodbury DM. Seizure susceptibility in DBA and C57 mice: the effects of various convulsants. Epilepsia 1988; 29:389-395.
47. Nordling J, Meyoff JJ, Hald T. Sympatholytic effect on striated urethral sphincter. A peripheral or central nervous system effect? Scand J Urol Nephrol 1981; 15:173-180.
48. Wasserman S. Histamine and the preclinical pharmacology of cetirizine. Ann Allergy 1987; 57:1-3.
49. Nagahama S, Chen YF, Oparil S. Mechanism of the depressor effect of bromocriptine in the spontaneously hypertensive rat. J Pharmacol Exp Ther 1984; 228:370-375.
50. Kerber CW, Sovak M, Ranganathan RS, Heilman CB. Totrol: a new myelographic agent: 1. Radiography, CT, CSF clearance, and brain penetration. AJNR Am J Neuroradiol 1983; 4:317-318.
51. Feldmen J, Bousquet P. A new procedure for studying central acting cardiovascular drugs: the permeabilization of the blood-brain barrier. Arch Inter Pharmacodynam Ther 1988; 296:7-17.
52. Ryhal BT, Fletcher MP. The second-generation antihistamines. What makes them different? Postgrad Med 1991; 89:87-88.
53. Tryba M, Kurz-Muller K. Penetration of roxatidine into the cerebrospinal fluid. Scand J Gastroenterol 1988; 146:153-158.
54. Judson IR, Rutty CJ, Abel G, Graham MA. Low central nervous system penetration of N2, N4, N6-trihydroxymethyl-N2, N4, N6-trimethylmelamine (Trimelamol): a cytotoxic s-triazine with reduced neurotoxicity. Br J Cancer 1986; 53:601-606.