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Volumn 6, Issue 8, 2015, Pages 961-971

Molecular determinants of blood-brain barrier permeation

Author keywords

high throughput; in silico; logPS; nutrient transporters; virtual screening

Indexed keywords

BLOOD BRAIN BARRIER; CELL CULTURE; DRUG DETERMINATION; DRUG DISPOSITION; DRUG DISTRIBUTION; DRUG PENETRATION; HUMAN; IN VITRO STUDY; MOLECULAR BIOLOGY; NONHUMAN; NUTRIENT; PARALLEL ARTIFICIAL MEMBRANE PERMEABILITY ANALYSIS; PRIORITY JOURNAL; REVIEW; ANIMAL; BRAIN; COMPUTER SIMULATION; DRUG DELIVERY SYSTEM; DRUG EFFECTS; METABOLISM; PERMEABILITY;

EID: 84945580924     PISSN: 20415990     EISSN: 20416008     Source Type: Journal    
DOI: 10.4155/tde.15.32     Document Type: Review
Times cited : (106)

References (90)
  • 1
    • 84856046963 scopus 로고    scopus 로고
    • Knowledge-based, central nervous system (CNS) lead selection and lead optimization for CNS drug discovery
    • Ghose AK, Herbertz T, Hudkins RL, Dorsey BD, Mallamo JP. Knowledge-based, central nervous system (CNS) lead selection and lead optimization for CNS drug discovery. ACS Chem. Neurosci. 3(1), 50-68 (2012).
    • (2012) ACS Chem. Neurosci. , vol.3 , Issue.1 , pp. 50-68
    • Ghose, A.K.1    Herbertz, T.2    Hudkins, R.L.3    Dorsey, B.D.4    Mallamo, J.P.5
  • 2
    • 84879077265 scopus 로고    scopus 로고
    • Alzheimer disease in the United States (2010-2050) estimated using the 2010 census
    • Hebert LE, Weuve J, Scherr PA, Evans DA. Alzheimer disease in the united states (2010-2050) estimated using the 2010 census. Neurology 80(19), 1778-1783 (2013).
    • (2013) Neurology , vol.80 , Issue.19 , pp. 1778-1783
    • Hebert, L.E.1    Weuve, J.2    Scherr, P.A.3    Evans, D.A.4
  • 3
    • 0037468884 scopus 로고    scopus 로고
    • A comparison of physiochemical property profiles of development and marketed oral drugs
    • Wenlock MC, Austin RP, Barton P, Davis AM, Leeson PD. A comparison of physiochemical property profiles of development and marketed oral drugs. J. Med. Chem. 46(7), 1250-1256 (2003).
    • (2003) J. Med. Chem. , vol.46 , Issue.7 , pp. 1250-1256
    • Wenlock, M.C.1    Austin, R.P.2    Barton, P.3    Davis, A.M.4    Leeson, P.D.5
  • 4
    • 84875802857 scopus 로고    scopus 로고
    • Physicochemical and dmpk in silico models: Facilitating their use by medicinal chemists
    • Ortwine DF, Aliagas I. Physicochemical and dmpk in silico models: facilitating their use by medicinal chemists. Mol. Pharm. 10(4), 1153-1161 (2013).
    • (2013) Mol. Pharm. , vol.10 , Issue.4 , pp. 1153-1161
    • Ortwine, D.F.1    Aliagas, I.2
  • 5
    • 80052974259 scopus 로고    scopus 로고
    • Improving drug candidates by design: A focus on physicochemical properties as a means of improving compound disposition and safety
    • Meanwell NA. Improving drug candidates by design: A focus on physicochemical properties as a means of improving compound disposition and safety. Chem. Res. Toxicol. 24(9), 1420-1456 (2011).
    • (2011) Chem. Res. Toxicol. , vol.24 , Issue.9 , pp. 1420-1456
    • Meanwell, N.A.1
  • 6
    • 33845784758 scopus 로고    scopus 로고
    • Blood-brain barrier delivery
    • Pardridge WM. Blood-brain barrier delivery. Drug Discov. Today 12(1-2), 54-61 (2007).
    • (2007) Drug Discov. Today , vol.12 , Issue.1-2 , pp. 54-61
    • Pardridge, W.M.1
  • 7
    • 44949250688 scopus 로고    scopus 로고
    • Blood-brain barrier permeability considerations for CNS-targeted compound library design
    • Hitchcock SA. Blood-brain barrier permeability considerations for CNS-targeted compound library design. Curr. Opin. Chem. Biol. 12(3), 318-323 (2008).
    • (2008) Curr. Opin. Chem. Biol. , vol.12 , Issue.3 , pp. 318-323
    • Hitchcock, S.A.1
  • 8
    • 84877747508 scopus 로고    scopus 로고
    • Blood-brain barrier structure and function and the challenges for cns drug delivery
    • Abbott NJ. Blood-brain barrier structure and function and the challenges for cns drug delivery. J. Inherit. Metabol. Dis. 36(3), 437-449 (2013).
    • (2013) J. Inherit. Metabol. Dis. , vol.36 , Issue.3 , pp. 437-449
    • Abbott, N.J.1
  • 10
    • 84864632825 scopus 로고    scopus 로고
    • Polymeric nanocarriers for controlled and enhanced delivery of therapeutic agents to the cns
    • Gagliardi M, Bardi G, Bifone A. Polymeric nanocarriers for controlled and enhanced delivery of therapeutic agents to the cns. Ther. Deliv. 3(7), 875-887 (2012).
    • (2012) Ther. Deliv. , vol.3 , Issue.7 , pp. 875-887
    • Gagliardi, M.1    Bardi, G.2    Bifone, A.3
  • 11
    • 84872588784 scopus 로고    scopus 로고
    • IGG-enzyme fusion protein: Pharmacokinetics and anti-drug antibody response in rhesus monkeys
    • Boado RJ, Hui EK, Lu JZ, Pardridge WM. IGG-enzyme fusion protein: pharmacokinetics and anti-drug antibody response in rhesus monkeys. Bioconjug. Chem. 24(1), 97-104 (2013).
    • (2013) Bioconjug. Chem. , vol.24 , Issue.1 , pp. 97-104
    • Boado, R.J.1    Hui, E.K.2    Lu, J.Z.3    Pardridge, W.M.4
  • 12
    • 32344446371 scopus 로고    scopus 로고
    • Development of the blood-brain barrier: A historical point of view
    • Ribatti D, Nico B, Crivellato E, Artico M. Development of the blood-brain barrier: A historical point of view. Anat. Rec. B New Anat. 289(1), 3-8 (2006).
    • (2006) Anat. Rec. B New Anat. , vol.289 , Issue.1 , pp. 3-8
    • Ribatti, D.1    Nico, B.2    Crivellato, E.3    Artico, M.4
  • 13
    • 27844518332 scopus 로고    scopus 로고
    • The critical component to establish in vitro bbb model: Pericyte
    • Lai CH, Kuo KH. The critical component to establish in vitro bbb model: pericyte. Brain Res. Brain Res. Rev. 50(2), 258-265 (2005).
    • (2005) Brain Res. Brain Res. Rev. , vol.50 , Issue.2 , pp. 258-265
    • Lai, C.H.1    Kuo, K.H.2
  • 14
    • 0033391691 scopus 로고    scopus 로고
    • Blood-brain barrier biology and methodology
    • Pardridge WM. Blood-brain barrier biology and methodology. J. Neurovirol. 5(6), 556-569 (1999).
    • (1999) J. Neurovirol. , vol.5 , Issue.6 , pp. 556-569
    • Pardridge, W.M.1
  • 15
    • 0029043028 scopus 로고
    • Ultrastructural analysis of tryptophan hydroxylase immunoreactive nerve terminals in the rat cerebral cortex and hippocampus: Their associations with local blood vessels
    • Cohen Z, Ehret M, Maitre M, Hamel E. Ultrastructural analysis of tryptophan hydroxylase immunoreactive nerve terminals in the rat cerebral cortex and hippocampus: their associations with local blood vessels. Neuroscience 66(3), 555-569 (1995).
    • (1995) Neuroscience , vol.66 , Issue.3 , pp. 555-569
    • Cohen, Z.1    Ehret, M.2    Maitre, M.3    Hamel, E.4
  • 17
    • 23044500398 scopus 로고    scopus 로고
    • Drug resistance in brain diseases and the role of drug efflux transporters
    • Loscher W, Potschka H. Drug resistance in brain diseases and the role of drug efflux transporters. Nat. Rev. Neurosci. 6(8), 591-602 (2005).
    • (2005) Nat. Rev. Neurosci. , vol.6 , Issue.8 , pp. 591-602
    • Loscher, W.1    Potschka, H.2
  • 18
    • 22744440362 scopus 로고    scopus 로고
    • Role of drug efflux transporters in the brain for drug disposition and treatment of brain diseases
    • Loscher W, Potschka H. Role of drug efflux transporters in the brain for drug disposition and treatment of brain diseases. Prog. Neurobiol. 76(1), 22-76 (2005).
    • (2005) Prog. Neurobiol. , vol.76 , Issue.1 , pp. 22-76
    • Loscher, W.1    Potschka, H.2
  • 19
    • 78649985708 scopus 로고    scopus 로고
    • Chronic exposure to nicotine and saquinavir decreases endothelial notch-4 expression and disrupts blood-brain barrier integrity
    • Manda VK, Mittapalli RK, In situ WJ, Lockman PR. Chronic exposure to nicotine and saquinavir decreases endothelial notch-4 expression and disrupts blood-brain barrier integrity. J. Neurochem. 115(2), 515-525 (2010).
    • (2010) J. Neurochem. , vol.115 , Issue.2 , pp. 515-525
    • Manda, V.K.1    Mittapalli, R.K.2    In situ, W.J.3    Lockman, P.R.4
  • 20
    • 84879415192 scopus 로고    scopus 로고
    • Why clinical inhibition of efflux transport at the blood-brain barrier is unlikely: The ITC evidence-based position
    • Kalvass JC, Polli JW, Bourdet DL et al. Why clinical inhibition of efflux transport at the blood-brain barrier is unlikely: The ITC evidence-based position. Clin. Pharmacol. Ther. 94(1), 80-94 (2013).
    • (2013) Clin. Pharmacol. Ther. , vol.94 , Issue.1 , pp. 80-94
    • Kalvass, J.C.1    Polli, J.W.2    Bourdet, D.L.3
  • 21
    • 70450263474 scopus 로고    scopus 로고
    • Cellular elements of the blood-brain barrier
    • Correale J, Villa A. Cellular elements of the blood-brain barrier. Neurochem. Res. 34(12), 2067-2077 (2009).
    • (2009) Neurochem. Res. , vol.34 , Issue.12 , pp. 2067-2077
    • Correale, J.1    Villa, A.2
  • 22
    • 53249138093 scopus 로고    scopus 로고
    • Brain endothelial cell-cell junctions: How to "open" the blood brain barrier
    • Stamatovic SM, Keep RF, Andjelkovic AV. Brain endothelial cell-cell junctions: how to "open" the blood brain barrier. Curr. Neuropharmacol. 6(3), 179-192 (2008).
    • (2008) Curr. Neuropharmacol. , vol.6 , Issue.3 , pp. 179-192
    • Stamatovic, S.M.1    Keep, R.F.2    Andjelkovic, A.V.3
  • 23
    • 84883153834 scopus 로고    scopus 로고
    • Optimization of the ultrasound-induced blood-brain barrier opening
    • Konofagou EE. Optimization of the ultrasound-induced blood-brain barrier opening. Theranostics 2(12), 1223-1237 (2012).
    • (2012) Theranostics , vol.2 , Issue.12 , pp. 1223-1237
    • Konofagou, E.E.1
  • 24
    • 84874176740 scopus 로고    scopus 로고
    • Rat model of blood-brain barrier disruption to allow targeted neurovascular therapeutics
    • Martin JA, Maris AS, Ehtesham M, Singer RJ. Rat model of blood-brain barrier disruption to allow targeted neurovascular therapeutics. J. Vis. Exp. 30(69), e50019 (2012).
    • (2012) J. Vis. Exp. , vol.30 , Issue.69 , pp. e50019
    • Martin, J.A.1    Maris, A.S.2    Ehtesham, M.3    Singer, R.J.4
  • 25
    • 39349087419 scopus 로고    scopus 로고
    • Identification of variations in blood-brain barrier opening after cerebral ischemia by dual contrast-enhanced magnetic resonance imaging and T 1SAT measurements
    • Nagaraja TN, Karki K, Ewing JR, Croxen RL, Knight RA. Identification of variations in blood-brain barrier opening after cerebral ischemia by dual contrast-enhanced magnetic resonance imaging and T 1SAT measurements. Stroke 39(2), 427-432 (2008).
    • (2008) Stroke , vol.39 , Issue.2 , pp. 427-432
    • Nagaraja, T.N.1    Karki, K.2    Ewing, J.R.3    Croxen, R.L.4    Knight, R.A.5
  • 26
    • 77954919918 scopus 로고    scopus 로고
    • Targeting drug transporters-combining in silico and in vitro approaches to predict in vivo
    • Bahadduri PM, Polli JE, Swaan PW, Ekins S. Targeting drug transporters-combining in silico and in vitro approaches to predict in vivo. Methods Mol. Biol. 637, 65-103 (2010).
    • (2010) Methods Mol. Biol. , vol.637 , pp. 65-103
    • Bahadduri, P.M.1    Polli, J.E.2    Swaan, P.W.3    Ekins, S.4
  • 27
    • 79954506893 scopus 로고    scopus 로고
    • Exploiting nutrient transporters at the blood-brain barrier to improve brain distribution of small molecules
    • Mittapalli RK, Manda VK, Adkins CE, Geldenhuys WJ, Lockman PR. Exploiting nutrient transporters at the blood-brain barrier to improve brain distribution of small molecules. Ther. Deliv. 1(6), 775-784 (2010).
    • (2010) Ther. Deliv. , vol.1 , Issue.6 , pp. 775-784
    • Mittapalli, R.K.1    Manda, V.K.2    Adkins, C.E.3    Geldenhuys, W.J.4    Lockman, P.R.5
  • 30
    • 0033827023 scopus 로고    scopus 로고
    • Comparison of blood-brain barrier permeability in mice and rats using in situ brain perfusion technique
    • Murakami H, Takanaga H, Matsuo H, Ohtani H, Sawada Y. Comparison of blood-brain barrier permeability in mice and rats using in situ brain perfusion technique. Am. J. Physiol. Heart Circ. Physiol. 279(3), H1022-H1028 (2000).
    • (2000) Am. J. Physiol. Heart Circ. Physiol. , vol.279 , Issue.3 , pp. H1022-H1028
    • Murakami, H.1    Takanaga, H.2    Matsuo, H.3    Ohtani, H.4    Sawada, Y.5
  • 31
    • 84925854124 scopus 로고    scopus 로고
    • CNS drug design: Balancing physicochemical properties for optimal brain exposure
    • Rankovic Z. CNS drug design: balancing physicochemical properties for optimal brain exposure. J. Med. Chem. 58(6), 2584-608 (2015).
    • (2015) J. Med. Chem. , vol.58 , Issue.6 , pp. 2584-2608
    • Rankovic, Z.1
  • 32
    • 12344322943 scopus 로고    scopus 로고
    • How to measure drug transport across the blood-brain barrier
    • Bickel U. How to measure drug transport across the blood-brain barrier. NeuroRx 2(1), 15-26 (2005).
    • (2005) NeuroRx , vol.2 , Issue.1 , pp. 15-26
    • Bickel, U.1
  • 33
    • 0035866672 scopus 로고    scopus 로고
    • High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes
    • Wohnsland F, Faller B. High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J. Med. Chem. 44(6), 923-930 (2001).
    • (2001) J. Med. Chem. , vol.44 , Issue.6 , pp. 923-930
    • Wohnsland, F.1    Faller, B.2
  • 34
    • 0032568397 scopus 로고    scopus 로고
    • Physicochemical high throughput screening: Parallel artificial membrane permeation assay in the description of passive absorption processes
    • Kansy M, Senner F, Gubernator K. Physicochemical high throughput screening: parallel artificial membrane permeation assay in the description of passive absorption processes. J. Med. Chem. 41(7), 1007-1010 (1998).
    • (1998) J. Med. Chem. , vol.41 , Issue.7 , pp. 1007-1010
    • Kansy, M.1    Senner, F.2    Gubernator, K.3
  • 35
    • 34247130021 scopus 로고    scopus 로고
    • Permeation of permanently positive charged molecules through artificial membranes-influence of physico-chemical properties
    • Fischer H, Kansy M, Avdeef A, Senner F. Permeation of permanently positive charged molecules through artificial membranes-influence of physico-chemical properties. Eur. J. Pharm. Sci. 31(1), 32-42 (2007).
    • (2007) Eur. J. Pharm. Sci. , vol.31 , Issue.1 , pp. 32-42
    • Fischer, H.1    Kansy, M.2    Avdeef, A.3    Senner, F.4
  • 36
    • 84875119951 scopus 로고    scopus 로고
    • Membrane configuration optimization for a murine in vitro blood-brain barrier model
    • Wuest DM, Wing AM, Lee KH. Membrane configuration optimization for a murine in vitro blood-brain barrier model. J. Neurosci. Methods 212(2), 211-221 (2013).
    • (2013) J. Neurosci. Methods , vol.212 , Issue.2 , pp. 211-221
    • Wuest, D.M.1    Wing, A.M.2    Lee, K.H.3
  • 37
    • 84867848663 scopus 로고    scopus 로고
    • Comparison of brain capillary endothelial cell-based and epithelial (MDCKMDR1, Caco-2, and VB-Caco-2) cell-based surrogate blood-brain barrier penetration models
    • Hellinger E, Veszelka S, Toth AE et al. Comparison of brain capillary endothelial cell-based and epithelial (MDCKMDR1, Caco-2, and VB-Caco-2) cell-based surrogate blood-brain barrier penetration models. Eur. J. Pharm. Biopharm. 82(2), 340-351 (2012).
    • (2012) Eur. J. Pharm. Biopharm. , vol.82 , Issue.2 , pp. 340-351
    • Hellinger, E.1    Veszelka, S.2    Toth, A.E.3
  • 38
    • 84869083149 scopus 로고    scopus 로고
    • Establishment of a new conditionally immortalized cell line from human brain microvascular endothelial cells: A promising tool for human blood-brain barrier studies
    • Kamiichi A, Furihata T, Kishida S et al. Establishment of a new conditionally immortalized cell line from human brain microvascular endothelial cells: A promising tool for human blood-brain barrier studies. Brain Res. 1488, 113-122 (2012).
    • (2012) Brain Res. , vol.1488 , pp. 113-122
    • Kamiichi, A.1    Furihata, T.2    Kishida, S.3
  • 39
    • 17644364387 scopus 로고    scopus 로고
    • Rat brain endothelial cell lines for the study of blood-brain barrier permeability and transport functions
    • Roux F, Couraud PO. Rat brain endothelial cell lines for the study of blood-brain barrier permeability and transport functions. Cell. Mol. Neurobiol. 25(1), 41-58 (2005).
    • (2005) Cell. Mol. Neurobiol. , vol.25 , Issue.1 , pp. 41-58
    • Roux, F.1    Couraud, P.O.2
  • 40
    • 84876161205 scopus 로고    scopus 로고
    • The HCMEC/D3 cell line as a model of the human blood brain barrier
    • Weksler B, Romero IA, Couraud PO. The HCMEC/D3 cell line as a model of the human blood brain barrier. Fluids Barriers CNS 10(1), 16 (2013).
    • (2013) Fluids Barriers CNS , vol.10 , Issue.1 , pp. 16
    • Weksler, B.1    Romero, I.A.2    Couraud, P.O.3
  • 41
    • 84898401732 scopus 로고    scopus 로고
    • A high-throughput cellbased method to predict the unbound drug fraction in the brain
    • Mateus A, Matsson P, Artursson P. A high-throughput cellbased method to predict the unbound drug fraction in the brain. J. Med. Chem. 57(7), 3005-3010 (2014).
    • (2014) J. Med. Chem. , vol.57 , Issue.7 , pp. 3005-3010
    • Mateus, A.1    Matsson, P.2    Artursson, P.3
  • 42
    • 84878631164 scopus 로고    scopus 로고
    • Rapid measurement of intracellular unbound drug concentrations
    • Mateus A, Matsson P, Artursson P. Rapid measurement of intracellular unbound drug concentrations. Mol. Pharm. 10(6), 2467-2478 (2013).
    • (2013) Mol. Pharm. , vol.10 , Issue.6 , pp. 2467-2478
    • Mateus, A.1    Matsson, P.2    Artursson, P.3
  • 43
    • 84880444568 scopus 로고    scopus 로고
    • The grasshopper: A novel model for assessing vertebrate brain uptake
    • Andersson O, Hansen SH, Hellman K et al. The grasshopper: A novel model for assessing vertebrate brain uptake. J. Pharmacol. Exp. Ther. 346(2), 211-218 (2013).
    • (2013) J. Pharmacol. Exp. Ther. , vol.346 , Issue.2 , pp. 211-218
    • Andersson, O.1    Hansen, S.H.2    Hellman, K.3
  • 45
    • 84864948753 scopus 로고    scopus 로고
    • In vivo assessment of the permeability of the blood-brain barrier and blood-retinal barrier to fluorescent indoline derivatives in zebrafish
    • Watanabe K, Nishimura Y, Nomoto T et al. In vivo assessment of the permeability of the blood-brain barrier and blood-retinal barrier to fluorescent indoline derivatives in zebrafish. BMC Neurosci. 13, 101 (2012).
    • (2012) BMC Neurosci. , vol.13 , pp. 101
    • Watanabe, K.1    Nishimura, Y.2    Nomoto, T.3
  • 46
    • 40749095640 scopus 로고    scopus 로고
    • Functional and developmental analysis of the blood-brain barrier in zebrafish
    • Jeong JY, Kwon HB, Ahn JC et al. Functional and developmental analysis of the blood-brain barrier in zebrafish. Brain Res. Bull. 75(5), 619-628 (2008).
    • (2008) Brain Res. Bull. , vol.75 , Issue.5 , pp. 619-628
    • Jeong, J.Y.1    Kwon, H.B.2    Ahn, J.C.3
  • 47
    • 0000545811 scopus 로고
    • An in situ brain perfusion technique to study cerebrovascular transport in the rat
    • Takasato Y, Rapoport SI, Smith QR. An in situ brain perfusion technique to study cerebrovascular transport in the rat. Am. J. Physiol. 247(3 Pt 2), H484-H493 (1984).
    • (1984) Am. J. Physiol. , vol.247 , Issue.3 , pp. H484-H493
    • Takasato, Y.1    Rapoport, S.I.2    Smith, Q.R.3
  • 48
    • 84866897313 scopus 로고    scopus 로고
    • Computational prediction of blood-brain barrier permeability using decision tree induction
    • Suenderhauf C, Hammann F, Huwyler J. Computational prediction of blood-brain barrier permeability using decision tree induction. Molecules 17(9), 10429-10445 (2012).
    • (2012) Molecules , vol.17 , Issue.9 , pp. 10429-10445
    • Suenderhauf, C.1    Hammann, F.2    Huwyler, J.3
  • 49
    • 1842635478 scopus 로고    scopus 로고
    • Log(BB), PS products and in silico models of drug brain penetration
    • Pardridge WM. Log(BB), PS products and in silico models of drug brain penetration. Drug Discov. Today 9(9), 392-393 (2004).
    • (2004) Drug Discov. Today , vol.9 , Issue.9 , pp. 392-393
    • Pardridge, W.M.1
  • 50
    • 0141958109 scopus 로고    scopus 로고
    • In silico prediction of blood-brain barrier permeation
    • Clark DE. In silico prediction of blood-brain barrier permeation. Drug Discov. Today 8(20), 927-933 (2003).
    • (2003) Drug Discov. Today , vol.8 , Issue.20 , pp. 927-933
    • Clark, D.E.1
  • 51
    • 0035684325 scopus 로고    scopus 로고
    • Lipid polarity in brain capillary endothelial cells
    • Tewes BJ, Galla HJ. Lipid polarity in brain capillary endothelial cells. Endothelium 8(3), 207-220 (2001).
    • (2001) Endothelium , vol.8 , Issue.3 , pp. 207-220
    • Tewes, B.J.1    Galla, H.J.2
  • 52
    • 0141463768 scopus 로고    scopus 로고
    • Serum-derived factors weaken the barrier properties of cultured porcine brain capillary endothelial cells in vitro
    • Nitz T, Eisenblatter T, Psathaki K, Galla HJ. Serum-derived factors weaken the barrier properties of cultured porcine brain capillary endothelial cells in vitro. Brain Res. 981(1-2), 30-40 (2003).
    • (2003) Brain Res. , vol.981 , Issue.1-2 , pp. 30-40
    • Nitz, T.1    Eisenblatter, T.2    Psathaki, K.3    Galla, H.J.4
  • 53
    • 77953675980 scopus 로고    scopus 로고
    • Moving beyond rules: The development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties
    • Wager TT, Hou X, Verhoest PR, Villalobos A. Moving beyond rules: The development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties. ACS Chem. Neurosci. 1(6), 435-449 (2010).
    • (2010) ACS Chem. Neurosci. , vol.1 , Issue.6 , pp. 435-449
    • Wager, T.T.1    Hou, X.2    Verhoest, P.R.3    Villalobos, A.4
  • 54
    • 84869987609 scopus 로고    scopus 로고
    • Conformer generation with omega: Learning from the data set and the analysis of failures
    • Hawkins PC, Nicholls A. Conformer generation with omega: learning from the data set and the analysis of failures. J. Chem. Inform. Model. 52(11), 2919-2936 (2012).
    • (2012) J. Chem. Inform. Model. , vol.52 , Issue.11 , pp. 2919-2936
    • Hawkins, P.C.1    Nicholls, A.2
  • 55
    • 84928648975 scopus 로고    scopus 로고
    • Molecular properties determining unbound intracellular and extracellular brain exposure of CNS drug candidates
    • Loryan I, Sinha V, Mackie C et al. Molecular properties determining unbound intracellular and extracellular brain exposure of CNS drug candidates. Mol. Pharm. 12(2), 520-532 (2014).
    • (2014) Mol. Pharm. , vol.12 , Issue.2 , pp. 520-532
    • Loryan, I.1    Sinha, V.2    Mackie, C.3
  • 56
    • 77953680038 scopus 로고    scopus 로고
    • Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes
    • Wager TT, Chandrasekaran RY, Hou X et al. Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes. ACS Chem. Neurosci. 1(6), 420-434 (2010).
    • (2010) ACS Chem. Neurosci. , vol.1 , Issue.6 , pp. 420-434
    • Wager, T.T.1    Chandrasekaran, R.Y.2    Hou, X.3
  • 57
    • 0035116915 scopus 로고    scopus 로고
    • Characterization of the blood-brain barrier choline transporter using the in situ rat brain perfusion technique
    • Allen DD, Smith QR. Characterization of the blood-brain barrier choline transporter using the in situ rat brain perfusion technique. J. Neurochem. 76(4), 1032-1041 (2001).
    • (2001) J. Neurochem. , vol.76 , Issue.4 , pp. 1032-1041
    • Allen, D.D.1    Smith, Q.R.2
  • 58
    • 0031464488 scopus 로고    scopus 로고
    • Molecular factors influencing drug transfer across the blood-brain barrier
    • Gratton JA, Abraham MH, Bradbury MW, Chadha HS. Molecular factors influencing drug transfer across the blood-brain barrier. J. Pharm. Pharmaol. 49(12), 1211-1216 (1997).
    • (1997) J. Pharm. Pharmaol. , vol.49 , Issue.12 , pp. 1211-1216
    • Gratton, J.A.1    Abraham, M.H.2    Bradbury, M.W.3    Chadha, H.S.4
  • 59
    • 1642579680 scopus 로고    scopus 로고
    • Development of a computational approach to predict blood-brain barrier permeability
    • Liu X, Tu M, Kelly RS, Chen C, Smith BJ. Development of a computational approach to predict blood-brain barrier permeability. Drug Metab. Dispos. 32(1), 132-139 (2004).
    • (2004) Drug Metab. Dispos. , vol.32 , Issue.1 , pp. 132-139
    • Liu, X.1    Tu, M.2    Kelly, R.S.3    Chen, C.4    Smith, B.J.5
  • 60
    • 68749095305 scopus 로고    scopus 로고
    • P-glycoprotein deficient mouse in situ blood-brain barrier permeability and its prediction using an in combo pampa model
    • Dagenais C, Avdeef A, Tsinman O, Dudley A, Beliveau R. P-glycoprotein deficient mouse in situ blood-brain barrier permeability and its prediction using an in combo pampa model. Eur. J. Pharm. Sci. 38(2), 121-137 (2009).
    • (2009) Eur. J. Pharm. Sci. , vol.38 , Issue.2 , pp. 121-137
    • Dagenais, C.1    Avdeef, A.2    Tsinman, O.3    Dudley, A.4    Beliveau, R.5
  • 61
    • 0037130275 scopus 로고    scopus 로고
    • A simple model to predict blood-brain barrier permeation from 3D molecular fields
    • Ooms F, Weber P, Carrupt PA, Testa B. A simple model to predict blood-brain barrier permeation from 3D molecular fields. Biochim. Biophys. Acta 1587(2-3), 118-125 (2002).
    • (2002) Biochim. Biophys. Acta , vol.1587 , Issue.2-3 , pp. 118-125
    • Ooms, F.1    Weber, P.2    Carrupt, P.A.3    Testa, B.4
  • 62
    • 0034213636 scopus 로고    scopus 로고
    • Predicting blood-brain barrier permeation from three-dimensional molecular structure
    • Crivori P, Cruciani G, Carrupt PA, Testa B. Predicting blood-brain barrier permeation from three-dimensional molecular structure. J. Med. Chem. 43(11), 2204-2216 (2000).
    • (2000) J. Med. Chem. , vol.43 , Issue.11 , pp. 2204-2216
    • Crivori, P.1    Cruciani, G.2    Carrupt, P.A.3    Testa, B.4
  • 63
    • 0033088690 scopus 로고    scopus 로고
    • Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling
    • Luco JM. Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling. J. Chem. Inform. Comput. Sci. 39(2), 396-404 (1999).
    • (1999) J. Chem. Inform. Comput. Sci. , vol.39 , Issue.2 , pp. 396-404
    • Luco, J.M.1
  • 64
    • 0344703614 scopus 로고    scopus 로고
    • Prediction of blood-brain barrier permeation using quantum chemically derived information
    • Hutter MC. Prediction of blood-brain barrier permeation using quantum chemically derived information. J. Comput. Aid. Mol. Dis. 17(7), 415-433 (2003).
    • (2003) J. Comput. Aid. Mol. Dis. , vol.17 , Issue.7 , pp. 415-433
    • Hutter, M.C.1
  • 65
    • 0035227969 scopus 로고    scopus 로고
    • High-throughput prediction of blood-brain partitioning: A thermodynamic approach
    • Keseru GM, Molnar L. High-throughput prediction of blood-brain partitioning: A thermodynamic approach. J. Chem. Inform. Comput. Sci. 41(1), 120-128 (2001).
    • (2001) J. Chem. Inform. Comput. Sci. , vol.41 , Issue.1 , pp. 120-128
    • Keseru, G.M.1    Molnar, L.2
  • 66
    • 0037309942 scopus 로고    scopus 로고
    • Recent advances in the prediction of blood-brain partitioning from molecular structure
    • Lobell M, Molnar L, Keseru GM. Recent advances in the prediction of blood-brain partitioning from molecular structure. J. Pharm. Sci. 92(2), 360-370 (2003).
    • (2003) J. Pharm. Sci. , vol.92 , Issue.2 , pp. 360-370
    • Lobell, M.1    Molnar, L.2    Keseru, G.M.3
  • 67
    • 16444373713 scopus 로고    scopus 로고
    • Predictive model of blood-brain barrier penetration of organic compounds
    • Ma XL, Chen C, Yang J. Predictive model of blood-brain barrier penetration of organic compounds. Acta Pharmacol. Sin. 26(4), 500-512 (2005).
    • (2005) Acta Pharmacol. Sin. , vol.26 , Issue.4 , pp. 500-512
    • Ma, X.L.1    Chen, C.2    Yang, J.3
  • 68
    • 0032811868 scopus 로고    scopus 로고
    • Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration
    • Clark DE. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration. J. Pharm. Sci. 88(8), 815-821 (1999).
    • (1999) J. Pharm. Sci. , vol.88 , Issue.8 , pp. 815-821
    • Clark, D.E.1
  • 69
    • 0035440324 scopus 로고    scopus 로고
    • Correlation and prediction of a large blood-brain distribution data set-an lfer study
    • Platts JA, Abraham MH, Zhao YH, Hersey A, Ijaz L, Butina D. Correlation and prediction of a large blood-brain distribution data set-an lfer study. Eur. J. Med. Chem. 36(9), 719-730 (2001).
    • (2001) Eur. J. Med. Chem. , vol.36 , Issue.9 , pp. 719-730
    • Platts, J.A.1    Abraham, M.H.2    Zhao, Y.H.3    Hersey, A.4    Ijaz, L.5    Butina, D.6
  • 70
    • 33244467920 scopus 로고    scopus 로고
    • In silico prediction of blood brain barrier permeability: An artificial neural network model
    • Garg P, Verma J. In silico prediction of blood brain barrier permeability: an artificial neural network model. J. Chem. Inform. Model. 46(1), 289-297 (2006).
    • (2006) J. Chem. Inform. Model. , vol.46 , Issue.1 , pp. 289-297
    • Garg, P.1    Verma, J.2
  • 71
    • 84865653455 scopus 로고    scopus 로고
    • Comparison of prediction models for blood brain barrier permeability and analysis of the molecular descriptors
    • Wu ZY, Pan J, Yuan Y, Hui AL, Yang Y, Zhou A. Comparison of prediction models for blood brain barrier permeability and analysis of the molecular descriptors. Pharmazie 67(7), 628-634 (2012).
    • (2012) Pharmazie , vol.67 , Issue.7 , pp. 628-634
    • Wu, Z.Y.1    Pan, J.2    Yuan, Y.3    Hui, A.L.4    Yang, Y.5    Zhou, A.6
  • 73
    • 77954058432 scopus 로고    scopus 로고
    • Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches
    • Fan Y, Unwalla R, Denny RA et al. Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches. J. Chem. Inform. Model. 50(6), 1123-1133 (2010).
    • (2010) J. Chem. Inform. Model. , vol.50 , Issue.6 , pp. 1123-1133
    • Fan, Y.1    Unwalla, R.2    Denny, R.A.3
  • 74
    • 0035498340 scopus 로고    scopus 로고
    • Development of quantitative structureproperty relationship models for early ADME evaluation in drug discovery. 2. Blood-brain barrier penetration
    • Liu R, Sun H, So SS. Development of quantitative structureproperty relationship models for early ADME evaluation in drug discovery. 2. Blood-brain barrier penetration. J. Chem. Inform. Comput. Sci. 41(6), 1623-1632 (2001).
    • (2001) J. Chem. Inform. Comput. Sci. , vol.41 , Issue.6 , pp. 1623-1632
    • Liu, R.1    Sun, H.2    So, S.S.3
  • 75
    • 33750350511 scopus 로고    scopus 로고
    • Improved naive Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction
    • Klon AE, Lowrie JF, Diller DJ. Improved naive bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction. J. Chem. Inform. Model. 46(5), 1945-1956 (2006).
    • (2006) J. Chem. Inform. Model. , vol.46 , Issue.5 , pp. 1945-1956
    • Klon, A.E.1    Lowrie, J.F.2    Diller, D.J.3
  • 76
    • 26944502743 scopus 로고    scopus 로고
    • Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods
    • Li H, Yap CW, Ung CY, Xue Y, Cao ZW, Chen YZ. Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods. J. Chem. Inform. Model. 45(5), 1376-1384 (2005).
    • (2005) J. Chem. Inform. Model. , vol.45 , Issue.5 , pp. 1376-1384
    • Li, H.1    Yap, C.W.2    Ung, C.Y.3    Xue, Y.4    Cao, Z.W.5    Chen, Y.Z.6
  • 77
    • 33646849102 scopus 로고    scopus 로고
    • Computational approaches to the prediction of blood-brain barrier permeability: A comparative analysis of central nervous system drugs versus secretase inhibitors for Alzheimer's disease
    • Rishton GM, Labonte K, Williams AJ, Kassam K, Kolovanov E. Computational approaches to the prediction of blood-brain barrier permeability: A comparative analysis of central nervous system drugs versus secretase inhibitors for Alzheimer's disease. Curr. Opin. Drug Discov. Dev. 9(3), 303-313 (2006).
    • (2006) Curr. Opin. Drug Discov. Dev. , vol.9 , Issue.3 , pp. 303-313
    • Rishton, G.M.1    Labonte, K.2    Williams, A.J.3    Kassam, K.4    Kolovanov, E.5
  • 78
    • 79954506893 scopus 로고    scopus 로고
    • Exploiting nutrient transproters at the blood-brain barrier to improve brain distribution of small molecules
    • Mittapalli RK, Manda VK, Adkins CE, Geldenhuys WJ, Lockman PR. Exploiting nutrient transproters at the blood-brain barrier to improve brain distribution of small molecules. Ther. Deliv. 1(6), 775-784 (2011).
    • (2011) Ther. Deliv. , vol.1 , Issue.6 , pp. 775-784
    • Mittapalli, R.K.1    Manda, V.K.2    Adkins, C.E.3    Geldenhuys, W.J.4    Lockman, P.R.5
  • 79
    • 84883865879 scopus 로고    scopus 로고
    • Design, synthesis and brain uptake of lat1-targeted amino acid prodrugs of dopamine
    • Peura L, Malmioja K, Huttunen K et al. Design, synthesis and brain uptake of lat1-targeted amino acid prodrugs of dopamine. Pharm. Res. 30(10), 2523-2537 (2013).
    • (2013) Pharm. Res. , vol.30 , Issue.10 , pp. 2523-2537
    • Peura, L.1    Malmioja, K.2    Huttunen, K.3
  • 80
    • 80053517788 scopus 로고    scopus 로고
    • Large amino acid transporter 1 (LAT1) prodrugs of valproic acid: New prodrug design ideas for central nervous system delivery
    • Peura L, Malmioja K, Laine K et al. Large amino acid transporter 1 (LAT1) prodrugs of valproic acid: new prodrug design ideas for central nervous system delivery. Mol. Pharm. 8(5), 1857-1866 (2011).
    • (2011) Mol. Pharm. , vol.8 , Issue.5 , pp. 1857-1866
    • Peura, L.1    Malmioja, K.2    Laine, K.3
  • 81
    • 84877624632 scopus 로고    scopus 로고
    • Transport of gabapentin by lat1 (slc7a5)
    • Dickens D, Webb SD, Antonyuk S et al. Transport of gabapentin by lat1 (slc7a5). Biochem. Pharmacol. 85(11), 1672-1683 (2013).
    • (2013) Biochem. Pharmacol. , vol.85 , Issue.11 , pp. 1672-1683
    • Dickens, D.1    Webb, S.D.2    Antonyuk, S.3
  • 83
    • 0037559607 scopus 로고    scopus 로고
    • The blood-brain barrier choline transporter as a brain drug delivery vector
    • Allen DD, Lockman PR. The blood-brain barrier choline transporter as a brain drug delivery vector. Life Sci. 73(13), 1609-1615 (2003).
    • (2003) Life Sci. , vol.73 , Issue.13 , pp. 1609-1615
    • Allen, D.D.1    Lockman, P.R.2
  • 84
    • 77953290631 scopus 로고    scopus 로고
    • Bis-azaaromatic quaternary ammonium salts as ligands for the blood-brain barrier choline transporter
    • Zheng G, Zhang Z, Lockman PR et al. Bis-azaaromatic quaternary ammonium salts as ligands for the blood-brain barrier choline transporter. Bioorg. Med. Chem. Lett. 20(11), 3208-3210 (2010).
    • (2010) Bioorg. Med. Chem. Lett. , vol.20 , Issue.11 , pp. 3208-3210
    • Zheng, G.1    Zhang, Z.2    Lockman, P.R.3
  • 85
    • 74049099836 scopus 로고    scopus 로고
    • Predictive screening model for potential vector-mediated transport of cationic substrates at the blood-brain barrier choline transporter
    • In situ WJ, Manda VK, Mittapalli RK et al. Predictive screening model for potential vector-mediated transport of cationic substrates at the blood-brain barrier choline transporter. Bioorg. Med. Chem. Lett. 20(3), 870-877 (2010).
    • (2010) Bioorg. Med. Chem. Lett. , vol.20 , Issue.3 , pp. 870-877
    • In situ, W.J.1    Manda, V.K.2    Mittapalli, R.K.3
  • 86
    • 53349165584 scopus 로고    scopus 로고
    • Bis-pyridinium cyclophanes: Novel ligands with high affinity for the blood-brain barrier choline transporter
    • Zhang Z, Lockman PR, Mittapalli RK, Allen DD, Dwoskin LP, Crooks PA. Bis-pyridinium cyclophanes: novel ligands with high affinity for the blood-brain barrier choline transporter. Bioorg. Med. Chem. Lett. 18(20), 5622-5625 (2008).
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , Issue.20 , pp. 5622-5625
    • Zhang, Z.1    Lockman, P.R.2    Mittapalli, R.K.3    Allen, D.D.4    Dwoskin, L.P.5    Crooks, P.A.6
  • 87
    • 37349073219 scopus 로고    scopus 로고
    • Carriermediated transport of the quaternary ammonium neuronal nicotinic receptor antagonist n,n'-dodecylbispicolinium dibromide at the blood-brain barrier
    • Lockman PR, Manda VK, Geldenhuys WJ et al. Carriermediated transport of the quaternary ammonium neuronal nicotinic receptor antagonist n,n'-dodecylbispicolinium dibromide at the blood-brain barrier. J. Pharmacol. Exp. Ther. 324(1), 244-250 (2008).
    • (2008) J. Pharmacol. Exp. Ther. , vol.324 , Issue.1 , pp. 244-250
    • Lockman, P.R.1    Manda, V.K.2    Geldenhuys, W.J.3
  • 88
    • 20344387212 scopus 로고    scopus 로고
    • 3D-QSAR study of bis-azaaromatic quaternary ammonium analogs at the blood-brain barrier choline transporter
    • Geldenhuys WJ, Lockman PR, Nguyen TH et al. 3D-QSAR study of bis-azaaromatic quaternary ammonium analogs at the blood-brain barrier choline transporter. Bioorg. Med. Chem. 13(13), 4253-4261 (2005).
    • (2005) Bioorg. Med. Chem. , vol.13 , Issue.13 , pp. 4253-4261
    • Geldenhuys, W.J.1    Lockman, P.R.2    Nguyen, T.H.3
  • 90
    • 63849244646 scopus 로고    scopus 로고
    • A turning point for blood-brain barrier modeling
    • Ekins S, Tropsha A. A turning point for blood-brain barrier modeling. Pharm. Res. 26(5), 1283-1284 (2009).
    • (2009) Pharm. Res. , vol.26 , Issue.5 , pp. 1283-1284
    • Ekins, S.1    Tropsha, A.2


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