메뉴 건너뛰기




Volumn 17, Issue 4-5, 2002, Pages 183-193

In silico prediction of ADME and pharmacokinetics: Report of an expert meeting organised by COST B15

Author keywords

ADME; In silico; Metabolism; Pharmacokinetics; Prediction

Indexed keywords

ABSORPTION; DATABASE SYSTEMS; DRUG PRODUCTS; METABOLISM; TOXICITY;

EID: 0036891062     PISSN: 09280987     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0928-0987(02)00185-9     Document Type: Conference Paper
Times cited : (141)

References (46)
  • 2
    • 0035478779 scopus 로고    scopus 로고
    • Predicting the impact of physiological and biochemical processes on oral drug bioavailability
    • Agoran B., Woltosz W.S., Bolger M.B. Predicting the impact of physiological and biochemical processes on oral drug bioavailability. Adv. Drug Deliv. Rev. 50:2001;S41-S67.
    • (2001) Adv. Drug Deliv. Rev. , vol.50
    • Agoran, B.1    Woltosz, W.S.2    Bolger, M.B.3
  • 3
    • 0028948839 scopus 로고
    • A theoretical basis for a biopharmaceutic drug classification: The correlation of in vitro drug product dissolution and in vivo bioavailability
    • Amidon G.L., Lennernas H., Shah V.P., Crison J.R. A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability. Pharm. Res. 12:1995;413-420.
    • (1995) Pharm. Res. , vol.12 , pp. 413-420
    • Amidon, G.L.1    Lennernas, H.2    Shah, V.P.3    Crison, J.R.4
  • 4
    • 0036179239 scopus 로고    scopus 로고
    • Experimental and computational screening models for the prediction of aqueous drug solubility
    • Bergstrom C.A.S., Norinder U., Luthman K., Artursson P. Experimental and computational screening models for the prediction of aqueous drug solubility. Pharm. Res. 19:2002;182-188.
    • (2002) Pharm. Res. , vol.19 , pp. 182-188
    • Bergstrom, C.A.S.1    Norinder, U.2    Luthman, K.3    Artursson, P.4
  • 5
    • 0035002238 scopus 로고    scopus 로고
    • Mode-of-action-based dosimeters for interspecies extrapolation of vinyl acetate inhalation risk
    • Bogdanffy M.S., Plowchalk D.R., Sarangapani R., Starr T.B., Andersen M.E. Mode-of-action-based dosimeters for interspecies extrapolation of vinyl acetate inhalation risk. Inhal. Toxicol. 13:2001;377-396.
    • (2001) Inhal. Toxicol. , vol.13 , pp. 377-396
    • Bogdanffy, M.S.1    Plowchalk, D.R.2    Sarangapani, R.3    Starr, T.B.4    Andersen, M.E.5
  • 6
    • 0033404228 scopus 로고    scopus 로고
    • Absorption potential and its variants
    • Boxenbaum H. Absorption potential and its variants. Pharm. Res. 16:1999;1893.
    • (1999) Pharm. Res. , vol.16 , pp. 1893
    • Boxenbaum, H.1
  • 7
    • 0035796897 scopus 로고    scopus 로고
    • Comparison of cancer risk estimates for vinyl chloride using animal and human data with a PBPK model
    • Clewell H.J., Gentry P.R., Gearhart J.M., Allen B.C., Andersen M.E. Comparison of cancer risk estimates for vinyl chloride using animal and human data with a PBPK model. Sci. Total Environ. 274:2001;37-66.
    • (2001) Sci. Total Environ. , vol.274 , pp. 37-66
    • Clewell, H.J.1    Gentry, P.R.2    Gearhart, J.M.3    Allen, B.C.4    Andersen, M.E.5
  • 9
    • 0022070123 scopus 로고
    • Absorption potential: Estimating the fraction absorbed for orally administered compounds
    • Dressman J.B., Amidon G.L., Fleisher D. Absorption potential: estimating the fraction absorbed for orally administered compounds. J. Pharm. Sci. 74:1985;588-589.
    • (1985) J. Pharm. Sci. , vol.74 , pp. 588-589
    • Dressman, J.B.1    Amidon, G.L.2    Fleisher, D.3
  • 10
    • 0034902212 scopus 로고    scopus 로고
    • Application of in silico approaches to predicting drug-drug interactions
    • Ekins S., Wrighton S.A. Application of in silico approaches to predicting drug-drug interactions. J. Pharmacol. Toxicol. Methods. 45:2001;65-69.
    • (2001) J. Pharmacol. Toxicol. Methods , vol.45 , pp. 65-69
    • Ekins, S.1    Wrighton, S.A.2
  • 12
    • 0031026707 scopus 로고    scopus 로고
    • Simulation models to predict oral drug absorption from in vitro data
    • Grass G.M. Simulation models to predict oral drug absorption from in vitro data. Adv. Drug Deliv. Rev. 23:1997;199-219.
    • (1997) Adv. Drug Deliv. Rev. , vol.23 , pp. 199-219
    • Grass, G.M.1
  • 13
    • 0015293017 scopus 로고
    • Theoretical model studies of drug absorption and transport in the GI tract (3)
    • Ho N.F., Higuchi W.I., Tun J. Theoretical model studies of drug absorption and transport in the GI tract (3). J. Pharm. Sci. 61:1972;192-197.
    • (1972) J. Pharm. Sci. , vol.61 , pp. 192-197
    • Ho, N.F.1    Higuchi, W.I.2    Tun, J.3
  • 14
    • 0034899540 scopus 로고    scopus 로고
    • ADMET - Turning chemicals into drugs
    • Hodgson J. ADMET - turning chemicals into drugs. Nat. Biotechnol. 19:2001;722-726.
    • (2001) Nat. Biotechnol. , vol.19 , pp. 722-726
    • Hodgson, J.1
  • 16
    • 0011616206 scopus 로고
    • P. Jenner, & B. Testa. New York: Marcel Dekker
    • Jenner P., Testa B., Concepts in Drug Metabolism. 1981;Marcel Dekker, New York.
    • (1981) Concepts in Drug Metabolism
  • 17
    • 0036136527 scopus 로고    scopus 로고
    • Computational models for cytochrome P450: A predictive electronic model for aromatic oxidation and hydrogen atom abstraction
    • Jones J.P., Mysinger M., Korzekwa K.R. Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction. Drug Metab. Dispos. 30:2002;7-12.
    • (2002) Drug Metab. Dispos. , vol.30 , pp. 7-12
    • Jones, J.P.1    Mysinger, M.2    Korzekwa, K.R.3
  • 18
    • 0035878822 scopus 로고    scopus 로고
    • A Bayesian analysis of the influence of GSTT1 polymorphism on the cancer risk estimate for dichloromethane
    • Jonsson F., Johanson G. A Bayesian analysis of the influence of GSTT1 polymorphism on the cancer risk estimate for dichloromethane. Toxicol. Appl. Pharmacol. 174:2001;99-112.
    • (2001) Toxicol. Appl. Pharmacol. , vol.174 , pp. 99-112
    • Jonsson, F.1    Johanson, G.2
  • 19
    • 0032750117 scopus 로고    scopus 로고
    • A heterogeneous tube model of intestinal drug absorption based on probabilistic concepts
    • Kalampokis A., Argyrakis P., Macheras P. A heterogeneous tube model of intestinal drug absorption based on probabilistic concepts. Pharm. Res. 16:1999;1764-1769.
    • (1999) Pharm. Res. , vol.16 , pp. 1764-1769
    • Kalampokis, A.1    Argyrakis, P.2    Macheras, P.3
  • 20
    • 0032939195 scopus 로고    scopus 로고
    • Heterogeneous tube model for the study of small intestinal transit flow
    • Kalampokis A., Argyrakis P., Macheras P. Heterogeneous tube model for the study of small intestinal transit flow. Pharm. Res. 16:1999;87-91.
    • (1999) Pharm. Res. , vol.16 , pp. 87-91
    • Kalampokis, A.1    Argyrakis, P.2    Macheras, P.3
  • 21
    • 0030886937 scopus 로고    scopus 로고
    • Managing the drug discovery/development interface
    • Kennedy T. Managing the drug discovery/development interface. Drug Discov. Today. 2:1997;436-444.
    • (1997) Drug Discov. Today , vol.2 , pp. 436-444
    • Kennedy, T.1
  • 22
    • 0036229852 scopus 로고    scopus 로고
    • Drugs as P-glycoprotein substrates, inhibitors and inducers
    • Kim R.B. Drugs as P-glycoprotein substrates, inhibitors and inducers. Drug Metab. Rev. 34:2002;47-54.
    • (2002) Drug Metab. Rev. , vol.34 , pp. 47-54
    • Kim, R.B.1
  • 23
    • 0034885012 scopus 로고    scopus 로고
    • Role of drug metabolism in drug discovery and development
    • Kumar G.N., Surapaneni S. Role of drug metabolism in drug discovery and development. Med. Res. Rev. 21:2001;397-411.
    • (2001) Med. Res. Rev. , vol.21 , pp. 397-411
    • Kumar, G.N.1    Surapaneni, S.2
  • 24
    • 0037142338 scopus 로고    scopus 로고
    • Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data
    • Lombardo F., Obach R.S., Shalaeva M.Y., Gao F. Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data. J. Med. Chem. 45:2002;2867-2876.
    • (2002) J. Med. Chem. , vol.45 , pp. 2867-2876
    • Lombardo, F.1    Obach, R.S.2    Shalaeva, M.Y.3    Gao, F.4
  • 25
    • 0024578889 scopus 로고
    • Toward a quantitative approach for the prediction of the fraction of dose absorbed using the absorption potential concept
    • Macheras P., Symillides M. Toward a quantitative approach for the prediction of the fraction of dose absorbed using the absorption potential concept. Biopharm. Drug Dispos. 10:1989;43-53.
    • (1989) Biopharm. Drug Dispos. , vol.10 , pp. 43-53
    • Macheras, P.1    Symillides, M.2
  • 26
    • 0033999569 scopus 로고    scopus 로고
    • Development of predictive pharmacokinetic simulation models for drug discovery
    • Norris D.A., Leesman G.D., Sinko P.J., Grass G.M. Development of predictive pharmacokinetic simulation models for drug discovery. J. Controlled Release. 65:2000;55-62.
    • (2000) J. Controlled Release , vol.65 , pp. 55-62
    • Norris, D.A.1    Leesman, G.D.2    Sinko, P.J.3    Grass, G.M.4
  • 27
    • 0027473738 scopus 로고
    • Estimating the fraction dose absorbed from suspensions of poorly soluble compounds in humans: A mathematical model
    • Oh D.M., Curl R.L., Amidon G.L. Estimating the fraction dose absorbed from suspensions of poorly soluble compounds in humans: a mathematical model. Pharm. Res. 10:1993;264-270.
    • (1993) Pharm. Res. , vol.10 , pp. 264-270
    • Oh, D.M.1    Curl, R.L.2    Amidon, G.L.3
  • 28
    • 0034982023 scopus 로고    scopus 로고
    • A whole-body physiologically based pharmacokinetic model incorporating dispersion concepts: Short and long time characteristics
    • Oliver R.E., Jones A.F., Rowland M. A whole-body physiologically based pharmacokinetic model incorporating dispersion concepts: short and long time characteristics. J. Pharmacokinet. Biopharm. 28:2001;27-55.
    • (2001) J. Pharmacokinet. Biopharm. , vol.28 , pp. 27-55
    • Oliver, R.E.1    Jones, A.F.2    Rowland, M.3
  • 29
    • 0033966128 scopus 로고    scopus 로고
    • A priori prediction of tissue: Plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery
    • Poulin P., Theil F.P. A priori prediction of tissue: Plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery. J. Pharm. Sci. 89:2000;16-35.
    • (2000) J. Pharm. Sci. , vol.89 , pp. 16-35
    • Poulin, P.1    Theil, F.P.2
  • 30
    • 0036144815 scopus 로고    scopus 로고
    • Prediction of pharamcokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution
    • Poulin P., Theil F.P. Prediction of pharamcokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution. J. Pharm. Sci. 91:2002;129-156.
    • (2002) J. Pharm. Sci. , vol.91 , pp. 129-156
    • Poulin, P.1    Theil, F.P.2
  • 31
    • 0036075799 scopus 로고    scopus 로고
    • Prediction of pharamcokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition
    • Poulin P., Theil F.P. Prediction of pharamcokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. J. Pharm. Sci. 91:2002;1358-1370.
    • (2002) J. Pharm. Sci. , vol.91 , pp. 1358-1370
    • Poulin, P.1    Theil, F.P.2
  • 32
    • 0035044107 scopus 로고    scopus 로고
    • Prediction of adipose tissue: Plasma partition coefficients for structurally unrelated drugs
    • Poulin P., Schoenlein K., Theil F.P. Prediction of adipose tissue: Plasma partition coefficients for structurally unrelated drugs. J. Pharm. Sci. 90:2001;436-447.
    • (2001) J. Pharm. Sci. , vol.90 , pp. 436-447
    • Poulin, P.1    Schoenlein, K.2    Theil, F.P.3
  • 33
    • 0023947965 scopus 로고
    • Pharmaceutical innovation by the seven UK-owned pharmaceutical companies (1964-1985)
    • Prentis R.A., Lis Y., Walker S.R. Pharmaceutical innovation by the seven UK-owned pharmaceutical companies (1964-1985). Br. J. Clin. Pharmacol. 25:1988;387-396.
    • (1988) Br. J. Clin. Pharmacol. , vol.25 , pp. 387-396
    • Prentis, R.A.1    Lis, Y.2    Walker, S.R.3
  • 34
    • 0025821306 scopus 로고
    • Predicting fraction dose absorbed in humans using a macroscopic mass balance approach
    • Sinko P.J., Leesman G.D., Amidon G.L. Predicting fraction dose absorbed in humans using a macroscopic mass balance approach. Pharm. Res. 8:1991;979-988.
    • (1991) Pharm. Res. , vol.8 , pp. 979-988
    • Sinko, P.J.1    Leesman, G.D.2    Amidon, G.L.3
  • 35
    • 0035821601 scopus 로고    scopus 로고
    • Experimental and computational screening models for the prediction of intestinal drug absorption
    • Stenberg P., Norinder U., Luthman K., Artursson P. Experimental and computational screening models for the prediction of intestinal drug absorption. J. Med. Chem. 44:2001;1927-1937.
    • (2001) J. Med. Chem. , vol.44 , pp. 1927-1937
    • Stenberg, P.1    Norinder, U.2    Luthman, K.3    Artursson, P.4
  • 37
    • 0014785244 scopus 로고
    • Theoretical model studies of drug absorption and transport in the gastrointestinal tract I
    • Suzuki A., Higuchi W.I., Ho N.F. Theoretical model studies of drug absorption and transport in the gastrointestinal tract I. J. Pharm. Sci. 59:1970;644-651.
    • (1970) J. Pharm. Sci. , vol.59 , pp. 644-651
    • Suzuki, A.1    Higuchi, W.I.2    Ho, N.F.3
  • 38
    • 0014791567 scopus 로고
    • Theoretical model studies of drug absorption and transport in the gastrointestinal tract II
    • Suzuki A., Higuchi W.I., Ho N.F. Theoretical model studies of drug absorption and transport in the gastrointestinal tract II. J. Pharm. Sci. 59:1970;651-659.
    • (1970) J. Pharm. Sci. , vol.59 , pp. 651-659
    • Suzuki, A.1    Higuchi, W.I.2    Ho, N.F.3
  • 41
    • 0002565849 scopus 로고    scopus 로고
    • Structure-metabolism relations and the challenge of predicting biotransformation
    • B. Testa, H. van de Waterbeemd, G. Folkers, & R. Guy. Zürich: Wiley-VCH, Helvetica Chimica Acta
    • Testa B., Cruciani G. Structure-metabolism relations and the challenge of predicting biotransformation. Testa B., van de Waterbeemd H., Folkers G., Guy R., Pharmacokinetic Optimization in Drug Research - Biological, Physicochemical and Computational Strategies. 2001;65-84 Wiley-VCH, Helvetica Chimica Acta, Zürich.
    • (2001) Pharmacokinetic Optimization in Drug Research - Biological, Physicochemical and Computational Strategies , pp. 65-84
    • Testa, B.1    Cruciani, G.2
  • 43
    • 0034002261 scopus 로고    scopus 로고
    • Role of the development scientist in compound lead selection and optimization
    • Venkatesh S., Lipper R.A. Role of the development scientist in compound lead selection and optimization. J. Pharm. Sci. 89:2000;145-154.
    • (2000) J. Pharm. Sci. , vol.89 , pp. 145-154
    • Venkatesh, S.1    Lipper, R.A.2
  • 44
    • 0032112107 scopus 로고    scopus 로고
    • Prediction of human intestinal absorption of drug compounds from molecular structure
    • Wessel K., Jurs P.C., Tolan J.W., Muscal S.M. Prediction of human intestinal absorption of drug compounds from molecular structure. J. Chem. Inf. Comput. Sci. 38:1998;726-735.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 726-735
    • Wessel, K.1    Jurs, P.C.2    Tolan, J.W.3    Muscal, S.M.4
  • 45
    • 0032888376 scopus 로고    scopus 로고
    • A compartmental absorption and transit model for estimating oral drug absorption
    • Yu L.X., Amidon G.L. A compartmental absorption and transit model for estimating oral drug absorption. Int. J. Pharm. 186:1999;119-125.
    • (1999) Int. J. Pharm. , vol.186 , pp. 119-125
    • Yu, L.X.1    Amidon, G.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.