메뉴 건너뛰기




Volumn 50, Issue 8, 2011, Pages 483-491

In vivo-in vitro-in silico pharmacokinetic modelling in drug development: Current status and future directions

Author keywords

Dose prediction; Pharmacokinetic modelling; Pharmacokinetics; Population pharmacokinetics

Indexed keywords

CYTOCHROME P450;

EID: 79960175548     PISSN: 03125963     EISSN: 11791926     Source Type: Journal    
DOI: 10.2165/11592400-000000000-00000     Document Type: Article
Times cited : (40)

References (48)
  • 1
    • 77954814751 scopus 로고    scopus 로고
    • Evolving molecules using multi-objective optimization: Applying to ADME/Tox
    • Jun
    • Ekins S, Honeycutt JD, Metz JT. Evolving molecules using multi-objective optimization: applying to ADME/Tox. Drug Discov Today 2010 Jun; 15 (11-12): 451-60.
    • (2010) Drug Discov Today , vol.15 , Issue.11-12 , pp. 451-460
    • Ekins, S.1    Honeycutt, J.D.2    Metz, J.T.3
  • 2
    • 79956348442 scopus 로고    scopus 로고
    • Alternative (non-animal) methods for cosmetics testing: Current status and future prospects - 2010
    • May
    • Adler S, Basketter D, Creton S, et al. Alternative (non-animal) methods for cosmetics testing: current status and future prospects - 2010. Arch Toxicol 2011 May; 85 (5): 367-485.
    • (2011) Arch Toxicol , vol.85 , Issue.5 , pp. 367-485
    • Adler, S.1    Basketter, D.2    Creton, S.3
  • 3
    • 22244480365 scopus 로고    scopus 로고
    • Application and impact of population pharmacokinetics in the assessment of antiretroviral pharmacotherapy
    • DOI 10.2165/00003088-200544060-00003
    • Barrett JS, Labbe L, Pfister M. Application and impact of population pharmacokinetics in the assessment of antiretroviral pharmacotherapy. Clin Pharmacokinet 2005; 44 (6): 591-625. (Pubitemid 40994087)
    • (2005) Clinical Pharmacokinetics , vol.44 , Issue.6 , pp. 591-625
    • Barrett, J.S.1    Labbe, L.2    Pfister, M.3
  • 5
    • 77149142588 scopus 로고    scopus 로고
    • Modelling of drug disposition ki- netics in in vitro intestinal absorption cell models
    • Mar
    • Heikkinen AT, Korjamo T, Monkkonen J. Modelling of drug disposition ki- netics in in vitro intestinal absorption cell models. Basic Clin Pharmacol Toxicol 2010 Mar; 106 (3): 180-8.
    • (2010) Basic Clin Pharmacol Toxicol , vol.106 , Issue.3 , pp. 180-188
    • Heikkinen, A.T.1    Korjamo, T.2    Monkkonen, J.3
  • 6
    • 55749099657 scopus 로고    scopus 로고
    • Validation of a rapid equilibrium dial- ysis approach for the measurement of plasma protein binding
    • Oct
    • Waters NJ, Jones R, Williams G, et al. Validation of a rapid equilibrium dial- ysis approach for the measurement of plasma protein binding. J Pharm Sci 2008 Oct; 97 (10): 4586-95.
    • (2008) J Pharm Sci , vol.97 , Issue.10 , pp. 4586-4595
    • Waters, N.J.1    Jones, R.2    Williams, G.3
  • 7
    • 40249118217 scopus 로고    scopus 로고
    • An in vitro blood-brain barrier model for high throughput (HTS) toxicological screening
    • Apr
    • Culot M, Lundquist S, Vanuxeem D, et al. An in vitro blood-brain barrier model for high throughput (HTS) toxicological screening. Toxicol In Vitro 2008 Apr; 22 (3): 799-811.
    • (2008) Toxicol in Vitro , vol.22 , Issue.3 , pp. 799-811
    • Culot, M.1    Lundquist, S.2    Vanuxeem, D.3
  • 8
    • 34247556082 scopus 로고    scopus 로고
    • Mechanistic approaches to volume of distribution predictions: Understanding the processes
    • DOI 10.1007/s11095-006-9210-3
    • Rodgers T, Rowland M. Mechanistic approaches to volume of distribution predictions: understanding the processes. Pharm Res 2007 May;24(5): 918-33. (Pubitemid 46675393)
    • (2007) Pharmaceutical Research , vol.24 , Issue.5 , pp. 918-933
    • Rodgers, T.1    Rowland, M.2
  • 10
    • 2942537923 scopus 로고    scopus 로고
    • Cellular models for ADMET predictions and evaluation of drug-drug interactions
    • Riley RJ, Kenna JG. Cellular models for ADMET predictions and evaluation of drug-drug interactions. Curr Opin Drug Discov Devel 2004 Jan; 7 (1): 86-99. (Pubitemid 44111917)
    • (2004) Current Opinion in Drug Discovery and Development , vol.7 , Issue.1 , pp. 86-99
    • Riley, R.J.1    Kenna, J.G.2
  • 11
    • 49649099527 scopus 로고    scopus 로고
    • An update on metabolism studies using human hepatocytes in primary culture
    • Jul
    • Gomez-Lechon MJ, Castell JV, Donato MT. An update on metabolism studies using human hepatocytes in primary culture. Expert Opin Drug Metab Toxicol 2008 Jul; 4 (7): 837-54.
    • (2008) Expert Opin Drug Metab Toxicol , vol.4 , Issue.7 , pp. 837-854
    • Gomez-Lechon, M.J.1    Castell, J.V.2    Donato, M.T.3
  • 12
    • 60749133620 scopus 로고    scopus 로고
    • Methods for predicting in vivo pharmacokinetics using data from in vitro assays
    • Nov
    • Houston JB, Galetin A. Methods for predicting in vivo pharmacokinetics using data from in vitro assays. Curr Drug Metab 2008 Nov; 9 (9): 940-51.
    • (2008) Curr Drug Metab , vol.9 , Issue.9 , pp. 940-951
    • Houston, J.B.1    Galetin, A.2
  • 13
    • 55049100842 scopus 로고    scopus 로고
    • Inhibition and induction of human cytochrome P450 enzymes: Current status
    • Oct
    • Pelkonen O, Turpeinen M, Hakkola J,et al. Inhibition and induction of human cytochrome P450 enzymes: current status. Arch Toxicol 2008 Oct; 82 (10): 667-715.
    • (2008) Arch Toxicol , vol.82 , Issue.10 , pp. 667-715
    • Pelkonen, O.1    Turpeinen, M.2    Hakkola, J.3
  • 14
    • 34247492532 scopus 로고    scopus 로고
    • The pivotal role of hepatocytes in drug discovery
    • DOI 10.1016/j.cbi.2006.11.002, PII S0009279706003255
    • Soars MG, McGinnity DF, Grime K, et al. The pivotal role of hepatocytes in drug discovery. Chem Biol Interact 2007 May 20; 168 (1): 2-15. (Pubitemid 46661937)
    • (2007) Chemico-Biological Interactions , vol.168 , Issue.1 , pp. 2-15
    • Soars, M.G.1    McGinnity, D.F.2    Grime, K.3    Riley, R.J.4
  • 15
    • 71949098636 scopus 로고    scopus 로고
    • Impact of hepatic uptake transporters on pharmacokinetics and drug-drug interactions: Use of assays and models for decision making in the pharmaceutical industry
    • Nov-Dec
    • Soars MG, Webborn PJ, Riley RJ. Impact of hepatic uptake transporters on pharmacokinetics and drug-drug interactions: use of assays and models for decision making in the pharmaceutical industry. Mol Pharm 2009 Nov-Dec; 6 (6): 1662-7.
    • (2009) Mol Pharm , vol.6 , Issue.6 , pp. 1662-7
    • Soars, M.G.1    Webborn, P.J.2    Riley, R.J.3
  • 16
    • 38149129455 scopus 로고    scopus 로고
    • Xenobiotic transporters: Ascribing function from gene knockout and mutation studies
    • Feb
    • Klaassen CD, Lu H. Xenobiotic transporters: ascribing function from gene knockout and mutation studies. Toxicol Sci 2008 Feb; 101 (2): 186-96.
    • (2008) Toxicol Sci , vol.101 , Issue.2 , pp. 186-196
    • Klaassen, C.D.1    Lu, H.2
  • 17
    • 77949398878 scopus 로고    scopus 로고
    • Xenobiotic bile acid and cholesterol trans- porters: Function and regulation
    • Mar
    • Klaassen CD, Aleksunes LM. Xenobiotic, bile acid, and cholesterol trans- porters: function and regulation. Pharmacol Rev 2010 Mar; 62 (1): 1-96.
    • (2010) Pharmacol Rev , vol.62 , Issue.1 , pp. 1-96
    • Klaassen, C.D.1    Aleksunes, L.M.2
  • 18
    • 35648944767 scopus 로고    scopus 로고
    • In vitro-in vivo extrapolation of hepatic clearance: Biological tools, scaling factors, model assumptions and correct concentrations
    • DOI 10.1080/00498250701620726, PII 783596089, Modelling and Simulation Approaches to in vitro-in vivo, Extrapolation of ADME Properties in Drug Development, Editor: Gordon Gibson, Guest Editor: Amin Rostami-Hodjegan
    • Pelkonen O, Turpeinen M. In vitro-in vivo extrapolation of hepatic clearance: biological tools, scaling factors, model assumptions and correct concentrations. Xenobiotica 2007 Oct-Nov; 37 (10-11): 1066-89. (Pubitemid 350035539)
    • (2007) Xenobiotica , vol.37 , Issue.10-11 , pp. 1066-1089
    • Pelkonen, O.1    Turpeinen, M.2
  • 19
    • 33645961595 scopus 로고    scopus 로고
    • The impact of in vitro binding on in vitro-in vivo extra- polations, projections of metabolic clearance and clinical drug-drug interactions
    • Apr
    • Grime K, Riley RJ. The impact of in vitro binding on in vitro-in vivo extra- polations, projections of metabolic clearance and clinical drug-drug interactions. Curr Drug Metab 2006 Apr; 7 (3): 251-64.
    • (2006) Curr Drug Metab , vol.7 , Issue.3 , pp. 251-264
    • Grime, K.1    Riley, R.J.2
  • 20
    • 65549132771 scopus 로고    scopus 로고
    • Methodologicaluncertainty in quantitative prediction of human hepatic clearance from in vitro experimental systems
    • Mar
    • Hallifax D, Houston JB. Methodologicaluncertainty in quantitative prediction of human hepatic clearance from in vitro experimental systems. Curr Drug Metab 2009 Mar; 10 (3): 307-21.
    • (2009) Curr Drug Metab , vol.10 , Issue.3 , pp. 307-321
    • Hallifax, D.1    Houston, J.B.2
  • 21
    • 35648929358 scopus 로고    scopus 로고
    • In vitro-in vivo extrapolation of hepatic clearance involving active uptake: Theoretical and experimental aspects
    • DOI 10.1080/00498250701557266, PII 783595910, Modelling and Simulation Approaches to in vitro-in vivo, Extrapolation of ADME Properties in Drug Development, Editor: Gordon Gibson, Guest Editor: Amin Rostami-Hodjegan
    • Webborn PJ, Parker AJ, Denton RL, et al. In vitro-in vivo extrapolation of hepatic clearance involving active uptake: theoretical and experimental aspects. Xenobiotica 2007 Oct-Nov; 37 (10-11): 1090-109. (Pubitemid 350035538)
    • (2007) Xenobiotica , vol.37 , Issue.10-11 , pp. 1090-1109
    • Webborn, P.J.H.1    Parker, A.J.2    Denton, R.L.3    Riley, R.J.4
  • 22
    • 34548304745 scopus 로고    scopus 로고
    • In silico pharmacology for drug discovery: Methods for virtual ligand screening and profiling
    • DOI 10.1038/sj.bjp.0707305, PII 0707305
    • Ekins S, Mestres J, Testa B. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Br J Pharmacol 2007 Sep; 152 (1): 9-20. (Pubitemid 47339896)
    • (2007) British Journal of Pharmacology , vol.152 , Issue.1 , pp. 9-20
    • Ekins, S.1    Mestres, J.2    Testa, B.3
  • 23
    • 34548319111 scopus 로고    scopus 로고
    • In silico pharmacology for drug discovery: Applications to targets and beyond
    • DOI 10.1038/sj.bjp.0707306, PII 0707306
    • Ekins S, Mestres J, Testa B. In silico pharmacology for drug discovery: applications to targets and beyond. Br J Pharmacol 2007 Sep; 152 (1): 21-37. (Pubitemid 47339897)
    • (2007) British Journal of Pharmacology , vol.152 , Issue.1 , pp. 21-37
    • Ekins, S.1    Mestres, J.2    Testa, B.3
  • 24
    • 0036891062 scopus 로고    scopus 로고
    • In silico prediction of ADME and pharmacokinetics: Report of an expert meeting organised by COST B15
    • DOI 10.1016/S0928-0987(02)00185-9, PII S0928098702001859
    • Boobis A, Gundert-Remy U, Kremers P, et al. In silico prediction of ADME and pharmacokinetics: report of an expert meeting organised by COST B15. Eur J Pharm Sci 2002 Dec; 17 (4-5): 183-93. (Pubitemid 35365921)
    • (2002) European Journal of Pharmaceutical Sciences , vol.17 , Issue.4-5 , pp. 183-193
    • Boobis, A.1    Gundert-Remy, U.2    Kremers, P.3    Macheras, P.4    Pelkonen, O.5
  • 25
    • 0037364162 scopus 로고    scopus 로고
    • ADMET in silico modelling: Towards prediction paradise?
    • DOI 10.1038/nrd1032
    • van de Waterbeemd H, Gifford E. ADMET in silico modelling: towards pre- diction paradise? Nat Rev Drug Discov 2003 Mar; 2 (3): 192-204. (Pubitemid 37361664)
    • (2003) Nature Reviews Drug Discovery , vol.2 , Issue.3 , pp. 192-204
    • Van De Waterbeemd, H.1    Gifford, E.2
  • 26
    • 52649175489 scopus 로고    scopus 로고
    • Human cytochromes P450 in the metabolism of drugs: New molecular models of enzyme-substrate interactions
    • Sep
    • Lewis DF, Ito Y. Human cytochromes P450 in the metabolism of drugs: new molecular models of enzyme-substrate interactions. Expert Opin Drug Metab Toxicol 2008 Sep; 4 (9): 1181-6.
    • (2008) Expert Opin Drug Metab Toxicol , vol.4 , Issue.9 , pp. 1181-6
    • Lewis, D.F.1    Ito, Y.2
  • 27
    • 78650757034 scopus 로고    scopus 로고
    • From known knowns to known unknowns: Predicting in vivo drug metabolites
    • May
    • Pelkonen O, Tolonen A, Korjamo T, et al. From known knowns to known unknowns: predicting in vivo drug metabolites. Bioanalysis 2009 May; 1 (2): 393-414.
    • (2009) Bioanalysis , vol.1 , Issue.2 , pp. 393-414
    • Pelkonen, O.1    Tolonen, A.2    Korjamo, T.3
  • 29
    • 33749036300 scopus 로고    scopus 로고
    • Prediction of ADMET properties
    • DOI 10.1002/cmdc.200600155
    • Norinder U, Bergstrom CA. Prediction of ADMET properties. ChemMed- Chem 2006 Sep; 1 (9): 920-37. (Pubitemid 44448790)
    • (2006) ChemMedChem , vol.1 , Issue.9 , pp. 920-937
    • Norinder, U.1    Bergstrom, C.A.S.2
  • 30
    • 69249141066 scopus 로고    scopus 로고
    • Comprehensive assessment of ADMET risks in drug discovery
    • Wang J. Comprehensive assessment of ADMET risks in drug discovery. Curr Pharm Des 2009; 15 (19): 2195-219.
    • (2009) Curr Pharm des , vol.15 , Issue.19 , pp. 2195-219
    • Wang, J.1
  • 31
    • 66849113847 scopus 로고    scopus 로고
    • Recent developments of in silico predictions of intestinal absorption and oral bioavailability
    • Jun
    • Hou T, Li Y, Zhang W, et al. Recent developments of in silico predictions of intestinal absorption and oral bioavailability. Comb Chem High Throughput Screen 2009 Jun; 12 (5): 497-506.
    • (2009) Comb Chem High Throughput Screen , vol.12 , Issue.5 , pp. 497-506
    • Hou, T.1    Li, Y.2    Zhang, W.3
  • 32
    • 73849114964 scopus 로고    scopus 로고
    • Challenges in the prediction and modeling of oral absorption and bioavailability
    • Jan
    • Metcalfe PD, Thomas S. Challenges in the prediction and modeling of oral absorption and bioavailability. Curr Opin Drug Discov Devel 2010 Jan; 13 (1): 104-10.
    • (2010) Curr Opin Drug Discov Devel , vol.13 , Issue.1 , pp. 104-110
    • Metcalfe, P.D.1    Thomas, S.2
  • 33
    • 67649392513 scopus 로고    scopus 로고
    • A framework for assessing inter-individual variability in pharmacokinetics using virtual human populations and integrating general knowledge of physical chemistry biology anatomy physiology and genetics: A tale of 'bottom-up' vs 'top-down' recognition of covariates
    • Jamei M, Dickinson GL, Rostami-Hodjegan A. A framework for assessing inter-individual variability in pharmacokinetics using virtual human populations and integrating general knowledge of physical chemistry, biology, anatomy, physiology and genetics: a tale of 'bottom-up' vs 'top-down' recognition of covariates. Drug Metab Pharmacokinet 2009; 24 (1): 53-75.
    • (2009) Drug Metab Pharmacokinet , vol.24 , Issue.1 , pp. 53-75
    • Jamei, M.1    Dickinson, G.L.2    Rostami-Hodjegan, A.3
  • 34
    • 33847035148 scopus 로고    scopus 로고
    • State-of-the-art tools for computational site of metabolism predictions: Comparative analysis, mechanistical insights, and future applications
    • Afzelius L, Arnby CH, Broo A, et al. State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications. Drug Metab Rev 2007; 39 (1): 61-86.
    • (2007) Drug Metab Rev , vol.39 , Issue.1 , pp. 61-86
    • Afzelius, L.1    Arnby, C.H.2    Broo, A.3
  • 35
    • 77953929952 scopus 로고    scopus 로고
    • The challenges of in silico contributions to drug metabolism in lead optimization
    • Jul
    • Vaz RJ, Zamora I, Li Y, et al. The challenges of in silico contributions to drug metabolism in lead optimization. Expert Opin Drug Metab Toxicol 2010 Jul; 6 (7): 851-61.
    • (2010) Expert Opin Drug Metab Toxicol , vol.6 , Issue.7 , pp. 851-861
    • Vaz, R.J.1    Zamora, I.2    Li, Y.3
  • 36
    • 47749149564 scopus 로고    scopus 로고
    • Predicting the volume of distribution of drugs in humans
    • DOI 10.2174/138920008784892137
    • Sui X, Sun J, Wu X, et al. Predicting the volume of distribution of drugs in humans. Curr Drug Metab 2008 Jul; 9 (6): 574-80. (Pubitemid 352025189)
    • (2008) Current Drug Metabolism , vol.9 , Issue.6 , pp. 574-580
    • Sui, X.1    Sun, J.2    Wu, X.3    Li, H.4    Liu, J.5    He, Z.6
  • 37
    • 60749087739 scopus 로고    scopus 로고
    • Assays to predict drug permeation across the blood-brain barrier, and distribution to brain
    • Nov
    • Abbott NJ, Dolman DE, Patabendige AK. Assays to predict drug permeation across the blood-brain barrier, and distribution to brain. Curr Drug Metab 2008 Nov; 9 (9): 901-10.
    • (2008) Curr Drug Metab , vol.9 , Issue.9 , pp. 901-910
    • Abbott, N.J.1    Dolman, D.E.2    Patabendige, A.K.3
  • 38
    • 35148898451 scopus 로고    scopus 로고
    • Organisation for Economic Cooperation and Development [OECD] OECD Series on Testing and Assessment, No. 69 [online] [Accessed 2011 Apr 20]
    • Organisation for Economic Cooperation and Development [OECD]. Guidance document on the validation of (quantitative) structure-activity relationships [(Q)SAR] models. OECD Series on Testing and Assessment, No. 69 [online]. Available from URL: http://www.oecd.org/document/2/0,3746,en-2649-34365- 42926338-1-1-1-1,00.html [Accessed 2011 Apr 20].
    • Guidance Document on the Validation of (Quantitative) Structure-activity Relationships [(Q)SAR] Models
  • 39
    • 15244344542 scopus 로고    scopus 로고
    • Application of full physiological models for pharmaceutical drug candidate selection and extrapolation of pharmacokinetics to man
    • DOI 10.1111/j.1742-7843.2005.pto960308.x
    • Parrott N,Jones H, Paquereau N, etal. Application of full physiological models for pharmaceutical drug candidate selection and extrapolation of pharmaco-kinetics to man. Basic Clin Pharmacol Toxicol 2005 Mar; 96 (3): 193-9. (Pubitemid 40387995)
    • (2005) Basic and Clinical Pharmacology and Toxicology , vol.96 , Issue.3 , pp. 193-199
    • Parrott, N.1    Jones, H.2    Paquereau, N.3    Lave, T.4
  • 40
    • 41949099850 scopus 로고    scopus 로고
    • Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: The first steps
    • Apr
    • Loizou G, Spendiff M, Barton HA, et al. Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: the first steps. Regul Toxicol Pharmacol 2008 Apr; 50 (3): 400-11.
    • (2008) Regul Toxicol Pharmacol , vol.50 , Issue.3 , pp. 400-411
    • Loizou, G.1    Spendiff, M.2    Barton, H.A.3
  • 41
    • 68249155031 scopus 로고    scopus 로고
    • Population-based mechanistic prediction of oral drug absorption
    • Jun
    • Jamei M, Turner D, Yang J, et al. Population-based mechanistic prediction of oral drug absorption. AAPS J 2009 Jun; 11 (2): 225-37.
    • (2009) AAPS J , vol.11 , Issue.2 , pp. 225-237
    • Jamei, M.1    Turner, D.2    Yang, J.3
  • 44
    • 52649130373 scopus 로고    scopus 로고
    • Whole body physiologically-based pharmacokinetic models: Their use in clinical drug development
    • Edginton AN, Theil FP, Schmitt W, et al. Whole body physiologically-based pharmacokinetic models: their use in clinical drug development. Expert Opin Drug Metab Toxicol 2008; 4 (9): 1143-52.
    • (2008) Expert Opin Drug Metab Toxicol , vol.4 , Issue.9 , pp. 1143-1152
    • Edginton, A.N.1    Theil, F.P.2    Schmitt, W.3
  • 45
    • 33947587274 scopus 로고    scopus 로고
    • Simulation and prediction of in vivo drug metabolism in human populations from in vitro data
    • DOI 10.1038/nrd2173, PII NRD2173
    • Rostami-Hodjegan A, Tucker GT. Simulation and prediction of in vivo drug metabolism in human populations from in vitro data. Nat Rev Drug Discov 2007 Feb; 6 (2): 140-8. (Pubitemid 46745341)
    • (2007) Nature Reviews Drug Discovery , vol.6 , Issue.2 , pp. 140-148
    • Rostami-Hodjegan, A.1    Tucker, G.T.2
  • 48
    • 77953806651 scopus 로고    scopus 로고
    • Multiscale modeling in drug discovery and development: Future oppor- tunities and present challenges
    • Jul
    • Vicini P. Multiscale modeling in drug discovery and development: future oppor- tunities and present challenges. Clin Pharmacol Ther 2010 Jul; 88 (1): 126-9
    • (2010) Clin Pharmacol Ther , vol.88 , Issue.1 , pp. 126-129
    • Vicini, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.