Toward an improved prediction of human in vivo brain penetration

References

• Abi-Dargham A, Hwang D, Huang Y, Zea-Ponce Y, Martinez D, Lombardo I, Broft A, Hashimoto T, Slifstein M, Mawlaw O, et al. Reliable quantification of both striatal and extrastriatal dopamine D2 receptors in humans with [18F]fallypride. Journal of Nucleic Medicine 2000; 41: 139P
   Web of Science ®Google Scholar
• Andrée B, Halldin C, Pike VW, Gunn RN, Olsson H, Farde L. The PET radioligand [carbonyl-(11)C]desmethyl-WAY-100635 binds to 5-HT(1A) receptors and provides a higher radioactive signal than [carbonyl-(11)C]WAY-100635 in the human brain. Journal of Nucleic Medicine 2002; 43(3)292–303
   PubMed Web of Science ®Google Scholar
• Baltes S, Gastens AM, Fedrowitz M, Potschka H, Kaever V, Löscher W. Differences in the transport of the antiepileptic drugs phenytoin, levetiracetam and carbamazepine by human and mouse P-glycoprotein. Neuropharmacology 2007; 52(2)333–346
   PubMed Web of Science ®Google Scholar
• Becker S, Liu X. Evaluation of the utility of brain slice methods to study brain penetration. Drug Metabolism and Disposition 2006; 34: 855–861
   PubMed Web of Science ®Google Scholar
• Bhagwagar Z, Hinz R, Taylor M, Fancy S, Cowen P, Grasby P. Increased 5-HT(2A) receptor binding in euthymic, medication-free patients recovered from depression: A positron emission study with [(11)C]MDL 100,907. American Journal of Psychiatry 2006; 163(9)1580–1587
   PubMed Web of Science ®Google Scholar
• Bolo NR, Hodé Y, Nédélec JF, Lainé E, Wagner G, Macher JP. Brain pharmacokinetics and tissue distribution in vivo of fluvoxamine and fluoxetine by fluorine magnetic resonance spectroscopy. Neuropsychopharmacology. 2000; 23(4)428–438
   PubMed Web of Science ®Google Scholar
• Boxenbaum H. Interspecies scaling, allometry, physiological time, and the ground plan of pharmacokinetics. Journal of Pharmacokinetics and Biopharmacology 1982; 10(2)201–227
   PubMedGoogle Scholar
• Burn DJ, Rinne JO, Quinn NP, Lees AJ, Marsden CD, Brooks DJ. Striatal opioid receptor binding in Parkinson's disease, striatonigral degeneration and Steele–Richardson–Olszewski syndrome: A [11C]diprenorphine PET study. Brain 1995; 118: 951–958
   PubMed Web of Science ®Google Scholar
• Chou YH, Halldin C, Farde L. Occupancy of 5-HT1A receptors by clozapine in the primate brain: A PET study. Psychopharmacology (Berlin) 2003; 166(3)234–240
   PubMed Web of Science ®Google Scholar
• Christian BT, Narayanan TK, Shi B, Mukherjee J. Quantitation of striatal and extrastriatal D-2 dopamine receptors using PET imaging of [(18)F]fallypride in nonhuman primates. Synapse 2000; 38: 71–79
   PubMed Web of Science ®Google Scholar
• Cserr HF, Bundgaard M. Blood–brain interfaces in vertebrates: A comparative approach. American Journal of Physiology 1984; 246: R277–R288
   PubMed Web of Science ®Google Scholar
• Cunningham VJ, Gunn RN, Matthews JC. Quantification in positron emission tomography for research in pharmacology and drug development. Nucleic Medicine Communications 2004; 25(7)643–646
   PubMed Web of Science ®Google Scholar
• Cutler L, Howes C, Deeks NJ, Buck TL, Jeffrey P. Development of a P-glycoprotein knockout model in rodents to define species differences in its functional effect at the blood–brain barrier. Journal of Pharmaceutical Science 2006; 95(9)1944–1953
   PubMed Web of Science ®Google Scholar
• Doran A, Obach RS, Smith BJ, Hosea NA, Becker S, Callegari E, Chen C, Chen X, Choo E, Cianfrogna J, et al. The impact of P-glycoprotein on the disposition of drugs targeted for indications of the central nervous system: Evaluation using the mdr1a/b knockout mouse model. Drug Metabolism and Disposition 2005; 33: 165–174
   PubMed Web of Science ®Google Scholar
• Farde L, Hall H, Ehrin E, Sedvall G. Quantitative analysis of D2 dopamine receptor binding in the living human brain by PET. Science 1986; 231(4735)258–261
   PubMed Web of Science ®Google Scholar
• Fichtl B, Van Niecieki A, Walter K. Tissue binding versus plasma protein binding of drugs: General principles and pharmacokinetic consequences. Advances in Drug Research 1982; 20: 117–161
   Google Scholar
• Frahm HD, Stephan H, Stephan M. Comparison of brain structure volumes in Insectivora and Primates. I. Neocortex. Journal für Hirnforschung 1982; 23(4)375–389
   PubMedGoogle Scholar
• Fraser AD, Isner AF, Heifetz SA. Tissue distribution of ethosuximide and clobazam in a seizure related fatality. Journal of Forensic Science 1988; 33(4)1058–1063
   PubMed Web of Science ®Google Scholar
• Frey KA, Holthoff VA, Koeppe RA, Jewett DM, Kilbourn MR, Kuhl DE. Parametric in vivo imaging of benzodiazepine receptor distribution in human brain. Annals of Neurology 1991; 30: 663–672
   PubMed Web of Science ®Google Scholar
• Fu K, Konrad RJ, Hardy RW, Brissie RM, Robinson CA. An unusual multiple drug intoxication case involving citalopram. Journal of Analysis and Toxicology 2000; 24(7)648–650
   PubMed Web of Science ®Google Scholar
• Gunn RN, Gunn SR, Cunningham VJ. Positron emission tomography compartmental models. Journal of Cerebral Blood Flow and Metabolism 2001; 21(6)635–652
   PubMed Web of Science ®Google Scholar
• Hammarlund-Udenaes M, Fridén M, Syvänen S, Gupta A. On the rate and extent of drug delivery to the brain. Pharmaceutical Research 2008; 25(8)1737–1750
   PubMed Web of Science ®Google Scholar
• Haug H. Brain sizes, surfaces, and neuronal sizes of the cortex cerebri: A stereological investigation of man and his variability and a comparison with some mammals (primates, whales, marsupials, insectivores, and one elephant). American Journal of Anatomy 1987; 180(2)126–142
   PubMedGoogle Scholar
• Hawkins BT, Davis TP. The blood–brain barrier/neurovascular unit in health and disease. Pharmacology Reviews 2005; 57(2)173–185
   PubMed Web of Science ®Google Scholar
• Hilberg T, Rogde S, Mørland J. Post-mortem drug redistribution–human cases related to results in experimental animals. Journal of Forensic Science 1999; 44(1)3–9
   PubMed Web of Science ®Google Scholar
• Hinz R, Bhagwagar Z, Cowen PJ, Cunningham VJ, Grasby PM. Validation of a tracer kinetic model for the quantification of 5-HT(2A) receptors in human brain with [(11)C]MDL 100,907. Journal of Cerebral Blood Flow and Metabolism 2007; 27(1)161–172
   PubMed Web of Science ®Google Scholar
• Houghton GW, Richens A, Toseland PA, Davidson S, Falconer MA. Brain concentrations of phenytoin, phenobarbitone and primidone in epileptic patients. European Journal of Clinical Pharmacology 1975; 9(1)73–78
   PubMed Web of Science ®Google Scholar
• Innis RB, Cunningham VJ, Delforge J, Fujita M, Gjedde A, Gunn RN, Holden J, Houle S, Huang SC, Ichise M, et al. Consensus nomenclature for in vivo imaging of reversibly binding radioligands. Journal of Cerebral Blood Flow and Metabolism 2007; 27(9)1533–1539
   PubMed Web of Science ®Google Scholar
• Ito H, Nyberg S, Halldin C, Lundkvist C, Farde L. PET imaging of central 5-HT2A receptors with carbon-11-MDL 100,907. Journal of Nucleic Medicine 1998; 39: 208–214
   PubMed Web of Science ®Google Scholar
• Ito K, Houston JB. Prediction of human drug clearance from in vitro and preclinical data using physiologically based and empirical approaches. Pharmacology Research 2005; 22(1)103–112
   PubMed Web of Science ®Google Scholar
• Jaffe PD, Batziris HP, Van der Hoeven P, DeSilva D, McIntyre IM. A study involving venlafaxine overdoses: Comparison of fatal and therapeutic concentrations in postmortem specimens. Journal of Forensic Science 1999; 44(1)193–196
   PubMed Web of Science ®Google Scholar
• Jones HM, Parrott N, Jorga K, Lavé T. A novel strategy for physiologically based predictions of human pharmacokinetics. Clinical Pharmacokinetics 2006; 45(5)511–542
   PubMed Web of Science ®Google Scholar
• Kalvass JC, Maurer TS. Influence of non-specific brain and plasma binding on CNS exposure: Implications for rational drug discovery. Biopharmacology and Drug Disposition 2002; 23: 327–338
   PubMed Web of Science ®Google Scholar
• Kalvass JC, Maurer TS, Pollack GM. Use of plasma and brain unbound fractions to assess the extent of brain distribution of 34 drugs: Comparison of unbound concentration ratios to in vivo P-glycoprotein efflux ratios. Drug Metabolism and Disposition 2007; 35: 660–666
   PubMed Web of Science ®Google Scholar
• Kornhuber J, Riederer P, Bleich S, Wiltfang J, Kraus T, Meineke I. Pharmacokinetic characterization of amantadine in human brain tissue. Therapy and Drug Monitoring 2006; 28(5)693–695
   PubMed Web of Science ®Google Scholar
• Kornhuber J, Schultz A, Wiltfang J, Meineke I, Gleiter CH, Zöchling R, Boissl KW, Leblhuber F, Riederer P. Persistence of haloperidol in human brain tissue. American Journal of Psychiatry 1999; 156(6)885–890
   PubMed Web of Science ®Google Scholar
• Lavé T, Parrott N, Grimm HP, Fleury A, Reddy M. Challenges and opportunities with modelling and simulation in drug discovery and drug development. Xenobiotica 2007; 37(10–11)1295–1310
   PubMed Web of Science ®Google Scholar
• Levine B, Jenkins AJ, Queen M, Jufer R, Smialek JE. Distribution of venlafaxine in three postmortem cases. Journal of Analysis and Toxicology 1996; 20(6)502–505
   PubMed Web of Science ®Google Scholar
• Levine B, Jenkins AJ, Smialek JE. Distribution of sertraline in postmortem cases. Journal of Analysis and Toxicology 1994; 18(5)272–274
   PubMed Web of Science ®Google Scholar
• Lin JH. How significant is the role of P-glycoprotein in drug absorption and brain uptake?. Drugs of Today 2004; 40(1)5–22
   PubMed Web of Science ®Google Scholar
• Liu X, Smith BJ, Chen C, Callegari E, Becker SL, Chen X, Cianfrogna J, Doran AC, Doran SD, Gibbs JP, et al. Use of a physiologically based pharmacokinetics model to study the time to reach brain equilibrium: An experimental analysis of the role of blood–brain barrier permeability, plasma protein binding, and brain tissue binding. Journal of Pharmacology and Experimental Therapy 2006; 313: 1254–1262
   Web of Science ®Google Scholar
• Logan BK, Friel PN, Case GA. Analysis of sertraline (Zoloft) and its major metabolite in postmortem specimens by gas and liquid chromatography. Journal of Analysis and Toxicology 1994; 18(3)139–142
   PubMed Web of Science ®Google Scholar
• Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW. Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. Journal of Pharmacology and Experimental Therapy 2002; 303: 1029–1037
   PubMed Web of Science ®Google Scholar
• Mahar Doan KM, Wring SA, Shampine LJ, Jordan KH, Bishop JP, Kratz J, Yang E, Serabjit-Singh CJ, Adkison KK, Polli JW. Steady-state brain concentrations of antihistamines in rats: Interplay of membrane permeability, P-glycoprotein efflux and plasma protein binding. Pharmacology 2004; 72(2)92–98
   PubMed Web of Science ®Google Scholar
• Martin A, Pounder DJ. Post-mortem toxico-kinetics of trazodone. Forensic Science International 1992; 56(2)201–207
   PubMed Web of Science ®Google Scholar
• Maurer TS, DeBartolo DB, Tess DA, Scott DO. Relationship between exposure and nonspecific binding of thirty-three central nervous system drugs in mice. Drug Metabolism and Disposition 2005; 33: 175–181
   PubMed Web of Science ®Google Scholar
• Mawlawi O, Huang Y, Hwang DR, Martinez D, Lombardo I, Slifstein M, Amstel D, Eftychiou N, Gelbard I, Van Heertum R, et al. Mapping 5HT2A receptors in human brain with [11C]MDL100907: Validation and reproducibility. Journal of Nucleic Medicine 2001a; 42(5)106
   PubMed Web of Science ®Google Scholar
• Mawlawi O, Martinez D, Slifstein M, Broft A, Chatterjee R, Hwang DR, Huang Y, Simpson N, Ngo K, Van Heertum R, et al. Imaging human mesolimbic dopamine transmission with positron emission tomography: I. Accuracy and precision of D(2) receptor parameter measurements in ventral striatum. Journal of Cerebral Blood Flow and Metabolism 2001b; 21(9)1034–1057
   PubMed Web of Science ®Google Scholar
• Merrick TC, Felo JA, Jenkins AJ. Tissue distribution of olanzapine in a post-mortem case. American Journal of Forensic Medicine and Pathology 2001; 22(3)270–274
   PubMed Web of Science ®Google Scholar
• Meyer FP, Banditt P, Schubert A, Schöche J. Lamotrigine concentrations in human serum, brain tissue, and tumor tissue. Epilepsia 1999; 40(1)68–73
   PubMed Web of Science ®Google Scholar
• Morselli PL, Baruzzi A, Gerna M, Bossi L, Porta M. Carbamazepine and carbamazepine-10,11-epoxide concentrations in human brain. British Journal of Clinical Pharmacology 1977; 4(5)535–540
   PubMed Web of Science ®Google Scholar
• Mukherjee J, Yang ZY, Brown T, Lew R, Wernick M, Ouyang X, Yasillo N, Chen CT, Mintzer R, Cooper M. Preliminary assessment of extrastriatal dopamine D-2 receptor binding in the rodent and nonhuman primate brains using the high affinity radioligand, 18F-fallypride. Nucleic Medicine and Biology 1999; 26(5)519–527
   PubMed Web of Science ®Google Scholar
• Ohtsuki S, Terasaki T. Contribution of carrier-mediated transport systems to the blood–brain barrier as a supporting and protecting interface for the brain; importance for CNS drug discovery and development. Pharmacology Research 2007; 24(9)1745–1758
   PubMed Web of Science ®Google Scholar
• Pappata S, Samson Y, Chavois C, Prenant C, Mazière M, Baron JC. Regional specific binding of [11C]RO 15 1788 to central type benzodiazepine receptors in human brain: Quantitative evaluation by PET. Journal of Cerebral Blood Flow and Metabolism 1988; 8: 304–313
   PubMed Web of Science ®Google Scholar
• Passchier J, Van Waarde A, Pieterman RM, Elsinga P, Hendrikse HN, Pruim J, Willemsen AT, Vaalburg W. Delineation of serotonin 5-HT1A receptors in human brain with [18F]MPPF. Journal of Nucleic Medicine 1999; 40: 29
   Web of Science ®Google Scholar
• Perlmutter JS, Stambuk MK, Markham J, Black KJ, McGee-Minnich L, Jankovic J, Moerlein SM. Decreased [18F]spiperone binding in putamen in idiopathic focal dystonia. Journal of Neuroscience 1997; 17(2)843–850
   PubMed Web of Science ®Google Scholar
• Prentis RA, Walker SR. Trends in the development of new medicines by UK-owned pharmaceutical companies (1964–1980). British Journal of Clinical Pharmacology 1986; 21(4)437–443
   PubMed Web of Science ®Google Scholar
• Price JC, Mayberg HS, Dannals RF, Wilson AA, Ravert HT, Sadzot B, Rattner Z, Kimball A, Feldman MA, Frost JJ. Measurement of benzodiazepine receptor number and affinity in humans using tracer kinetic modeling, positron emission tomography, and [(11)C]flumazenil. Journal of Cerebral Blood Flow and Metabolism 1993; 13: 656–667
   PubMed Web of Science ®Google Scholar
• Rambeck B, Jürgens UH, May TW, Pannek HW, Behne F, Ebner A, Gorji A, Straub H, Speckmann EJ, Pohlmann-Eden B, et al. Comparison of brain extracellular fluid, brain tissue, cerebrospinal fluid, and serum concentrations of antiepileptic drugs measured intraoperatively in patients with intractable epilepsy. Epilepsia 2006; 47(4)681–694
   PubMed Web of Science ®Google Scholar
• Rodda KE, Drummer OH. The re-distribution of selected psychiatric drugs in post-mortem cases. Forensic Science International 2006; 20;164(2–3)235–239
   Web of Science ®Google Scholar
• Roettger JR. The importance of blood collection site for the determination of basic drugs: A case with fluoxetine and diphenhydramine overdose. Journal of Analysis and Toxicology 1990; 14(3)191–192
   PubMed Web of Science ®Google Scholar
• Rohrig TP, Prouty RW. Fluoxetine overdose: A case report. Journal of Analysis and Toxicology 1989; 13(5)305–307
   PubMed Web of Science ®Google Scholar
• Rostami-Hodjegan A, Tucker GT. Simulation and prediction of in vivo drug metabolism in human populations from in vitro data. Nature Reviews in Drug Discovery 2007; 6(2)140–148
   PubMed Web of Science ®Google Scholar
• Sadeque AJ, Wandel C, He H, Shah S, Wood AJ. Increased drug delivery to the brain by P-glycoprotein inhibition. Clinical Pharmacology and Therapy 2000; 68(3)231–237
   PubMed Web of Science ®Google Scholar
• Sadzot B, Price JC, Mayberg HS, Douglass KH, Dannals RF, Lever JR, Ravert HT, Wilson AA, Wagner HN, Jr, Feldman MA. Quantification of human opioid receptor concentration and affinity using high and low specific [11C]diprenorphine and positron emission tomography. Journal of Cerebral Blood Flow and Metabolism 1991; 11: 204–219
   PubMed Web of Science ®Google Scholar
• Schuitemaker A, Van Berckel BN, Kropholler MA, Veltman DJ, Scheltens P, Jonker C, Lammertsma AA, Boellaard R. SPM analysis of parametric (R)-[11C]PK11195 binding images: Plasma input versus reference tissue parametric methods. Neuroimage 2007; 35(4)1473–1479
   PubMed Web of Science ®Google Scholar
• Stolzenburg JU, Reichenbach A, Neumann M. Size and density of glial and neuronal cells within the cerebral neocortex of various insectivorian species. Glia 1989; 2(2)78–84
   PubMed Web of Science ®Google Scholar
• Summerfield SG, Jeffrey P. In vitro prediction of brain penetration–a case for free thinking?. Expert Opinions on Drug Discovery 2006; 1(6)595–607
   PubMed Web of Science ®Google Scholar
• Summerfield SG, Read KD, Begley DJ, Obradovic TT, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P. CNS drug disposition: The relationship between in situ brain permeability and brain free fraction. Journal of Pharmacology and Experimental Therapy 2007; 322(1)205–213
   PubMed Web of Science ®Google Scholar
• Summerfield SG, Stevens AJ, Cutler L, Del Carmen Osuna M, Hammond B, Tang SP, Hersey A, Spalding DJ, Jeffrey P. Improving the in vitro prediction of in vivo central nervous system penetration: Integrating permeability, P-glycoprotein efflux, and free fractions in blood and brain. Journal of Pharmacology and Experimental Therapy 2006; 316: 1282–1290
   PubMed Web of Science ®Google Scholar
• Svendsen CN, Hrbek CC, Casendino M, Nichols RD, Bird ED. Concentration and distribution of thioridazine and metabolites in schizophrenic post-mortem brain tissue. Psychiatry Research 1988; 23(1)1–10
   PubMed Web of Science ®Google Scholar
• Weksler BB, Subileau EA, Perrière N, Charneau P, Holloway K, Leveque M, Tricoire-Leignel H, Nicotra A, Bourdoulous S, Turowski P, et al. Blood–brain barrier-specific properties of a human adult brain endothelial cell line. FASEB Journal 2005; 13: 1872–1874
   Web of Science ®Google Scholar
• Wenzel S, Aderjan R, Mattern R, Pedal I, Skopp G. Tissue distribution of mirtazapine and desmethylmirtazapine in a case of mirtazapine poisoning. Forensic Science International 2006; 156(2–3)229–236
   PubMed Web of Science ®Google Scholar
• Wilcox KM, Lindsey KP, Votaw JR, Goodman MM, Martarello L, Carroll FI, Howell LL. Self-administration of cocaine and the cocaine analog RTI-113: Relationship to dopamine transporter occupancy determined by PET neuroimaging in rhesus monkeys. Synapse 2002; 43(1)78–85
   PubMed Web of Science ®Google Scholar
• Zoghbi SS, Liow JS, Yasuno F, Hong J, Tuan E, Lazarova N, Gladding RL, Pike VW, Innis RB. 11C-loperamide and its N-desmethyl radiometabolite are avid substrates for brain permeability–glycoprotein efflux. Journal of Nucleic Medicine 2008; 49(4)649–656
   PubMed Web of Science ®Google Scholar