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Volumn 93, Issue 6, 2004, Pages 1595-1604

A new nonlinear equation for the tissue/blood partition coefficients of neutral compounds

Author keywords

Nonlinear equation; Partition coefficient; QSAR; Tissue composition

Indexed keywords

LIPID; PROTEIN; WATER;

EID: 2642543421     PISSN: 00223549     EISSN: None     Source Type: Journal    
DOI: 10.1002/jps.20084     Document Type: Article
Times cited : (29)

References (17)
  • 1
    • 0036733789 scopus 로고    scopus 로고
    • Prediction of the volume of distribution of a drug: Which tissue-plasma partition coefficients are needed?
    • Bjorkman S. 2002. Prediction of the volume of distribution of a drug: Which tissue-plasma partition coefficients are needed? J Pharm Pharmacol 54:1237-1245.
    • (2002) J Pharm Pharmacol , vol.54 , pp. 1237-1245
    • Bjorkman, S.1
  • 2
    • 34447521097 scopus 로고
    • Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients
    • Hansch C, Maloney PP, Fujita T. 1962. Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients. Nature 194:178-180.
    • (1962) Nature , vol.194 , pp. 178-180
    • Hansch, C.1    Maloney, P.P.2    Fujita, T.3
  • 3
    • 0036557847 scopus 로고    scopus 로고
    • Modeling blood-brain barrier partitioning using the electrotopological state
    • Rose K, Hall LH, Kier LB. 2002. Modeling blood-brain barrier partitioning using the electrotopological state. J Chem Inf Comput Sci 42:651-666.
    • (2002) J Chem Inf Comput Sci , vol.42 , pp. 651-666
    • Rose, K.1    Hall, L.H.2    Kier, L.B.3
  • 4
    • 84951757332 scopus 로고    scopus 로고
    • Hydrogen bond strength estimation by means of HYBOT
    • van de Waterbeemd H, Testa B, Folkers G, editors. Basel: Verlag Helvetica Chimica Acta
    • Raevsky OA. 1997. Hydrogen bond strength estimation by means of HYBOT. In: van de Waterbeemd H, Testa B, Folkers G, editors. Computer-assisted lead find and optimization. Basel: Verlag Helvetica Chimica Acta, pp 367-378.
    • (1997) Computer-assisted Lead Find and Optimization , pp. 367-378
    • Raevsky, O.A.1
  • 6
    • 0028108085 scopus 로고
    • Hydrogen bonding. 3 Factors that influence the distribution of solutes between blood and brain
    • Abraham MH, Chadha H, Michell RC. 1994. Hydrogen bonding. 3 factors that influence the distribution of solutes between blood and brain. J Pharm Sci 83:1257-1268.
    • (1994) J Pharm Sci , vol.83 , pp. 1257-1268
    • Abraham, M.H.1    Chadha, H.2    Michell, R.C.3
  • 7
    • 0036844787 scopus 로고    scopus 로고
    • Predicting blood-brain barrier partitioning of organic molecules using membrane-interaction QSAR analysis
    • Iyer M, Mishru R, Han Y, Hopfinger AJ. 2002. Predicting blood-brain barrier partitioning of organic molecules using membrane-interaction QSAR analysis. Pharm Res 19:1611-1621.
    • (2002) Pharm Res , vol.19 , pp. 1611-1621
    • Iyer, M.1    Mishru, R.2    Han, Y.3    Hopfinger, A.J.4
  • 8
    • 0344563601 scopus 로고    scopus 로고
    • A model-based dependence of the human tissue/blood partition coefficients of chemicals on lipophilicity and tissue composition
    • Balaz S, Lukacova V. 1999. A model-based dependence of the human tissue/blood partition coefficients of chemicals on lipophilicity and tissue composition. Quantum Struct Activ Relat 18:361-368.
    • (1999) Quantum Struct Activ Relat , vol.18 , pp. 361-368
    • Balaz, S.1    Lukacova, V.2
  • 9
    • 0035044107 scopus 로고    scopus 로고
    • Prediction of adipose tissue: Plasma partition coefficients for structurally unrelated drugs
    • Poulin P, Schoenlein K, Theil FP. 2001. Prediction of adipose tissue: Plasma partition coefficients for structurally unrelated drugs. J Pharm Sci 90:436-447.
    • (2001) J Pharm Sci , vol.90 , pp. 436-447
    • Poulin, P.1    Schoenlein, K.2    Theil, F.P.3
  • 10
    • 0036075799 scopus 로고    scopus 로고
    • Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition
    • Poulin P, Theil FP. 2002. Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. J Pharm Sci 91:1358-1370.
    • (2002) J Pharm Sci , vol.91 , pp. 1358-1370
    • Poulin, P.1    Theil, F.P.2
  • 11
    • 0027078680 scopus 로고
    • A new method for the estimation of the aqueous solubility of organic compounds
    • Bodor N, Huang MJ. 1992. A new method for the estimation of the aqueous solubility of organic compounds. J Pharm Sci 81:954-960.
    • (1992) J Pharm Sci , vol.81 , pp. 954-960
    • Bodor, N.1    Huang, M.J.2
  • 12
    • 0030462889 scopus 로고    scopus 로고
    • Computation of brain-blood partitioning of organic solutes via free energy calculations
    • Lombardo F, Blake JF, Curatolo WJ. 1996. Computation of brain-blood partitioning of organic solutes via free energy calculations. J Med Chem 39:4750-4755.
    • (1996) J Med Chem , vol.39 , pp. 4750-4755
    • Lombardo, F.1    Blake, J.F.2    Curatolo, W.J.3
  • 13
    • 0000642679 scopus 로고    scopus 로고
    • Quantification of non-covalent interactions on the basis of the thermodynamic hydrogen bond parameters
    • Raevsky OA. 1997. Quantification of non-covalent interactions on the basis of the thermodynamic hydrogen bond parameters. J Phys Org Chem 10:405-413.
    • (1997) J Phys Org Chem , vol.10 , pp. 405-413
    • Raevsky, O.A.1
  • 14
    • 0346046299 scopus 로고
    • Approximate molecular electrostatic potential computations: Application to quantitative structure-activity relationships
    • Kireev DB, Fetisov VI, Zefirov NS. 1994. Approximate molecular electrostatic potential computations: Application to quantitative structure-activity relationships. J Mol Struct (Theochem) 304:143-150.
    • (1994) J Mol Struct (Theochem) , vol.304 , pp. 143-150
    • Kireev, D.B.1    Fetisov, V.I.2    Zefirov, N.S.3
  • 15
    • 0345720252 scopus 로고
    • Additivity methods in molecular polarizability
    • Miller KJ. 1990. Additivity methods in molecular polarizability. J Am Chem Soc 112:8533-8538.
    • (1990) J Am Chem Soc , vol.112 , pp. 8533-8538
    • Miller, K.J.1
  • 16
    • 0031413080 scopus 로고    scopus 로고
    • A quantitive property-property relation [QPPR] approach of organic chemicals in rats and humans
    • Dejongh J, Verhaar HJD, Hermens JLM. 1997. A quantitive property-property relation [QPPR] approach of organic chemicals in rats and humans. Arch Toxicol 72:17-25.
    • (1997) Arch Toxicol , vol.72 , pp. 17-25
    • Dejongh, J.1    Verhaar, H.J.D.2    Hermens, J.L.M.3
  • 17
    • 0034989512 scopus 로고    scopus 로고
    • pH-Dependent partitioning of acidic and basic drugs into liposomes - A quantitative structure-activity relationship analysis
    • Schaper KJ, Zhang H, Raevsky OA. 2001. pH-Dependent partitioning of acidic and basic drugs into liposomes - A quantitative structure-activity relationship analysis. Quantum Struct Activ Relat 20:46-54.
    • (2001) Quantum Struct Activ Relat , vol.20 , pp. 46-54
    • Schaper, K.J.1    Zhang, H.2    Raevsky, O.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.