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Volumn 30, Issue 2, 2007, Pages 182-190

Equation chapter 1 section 1A new method for predicting human hepatic clearance from in vitro experimental data using molecular descriptors

Author keywords

Hepatic clearance; In vitro data; Molecular descriptors; Multiple linear regression; Prediction

Indexed keywords


EID: 33947125972     PISSN: 02536269     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02977693     Document Type: Article
Times cited : (7)

References (27)
  • 1
    • 0019974098 scopus 로고
    • Interspecies scaling, allometry, physiological time, and the ground plan of pharmacokinetics
    • Boxenbaum, H., Interspecies scaling, allometry, physiological time, and the ground plan of pharmacokinetics. J. Pharmacokinet. Biopharm., 10, 201-227 (1982).
    • (1982) J. Pharmacokinet. Biopharm , vol.10 , pp. 201-227
    • Boxenbaum, H.1
  • 2
    • 0141958109 scopus 로고    scopus 로고
    • In silico prediction of blood-brain barrier permeation
    • Clark, D. E., In silico prediction of blood-brain barrier permeation. Drug Discov. Today, 8, 927-933 (2003).
    • (2003) Drug Discov. Today , vol.8 , pp. 927-933
    • Clark, D.E.1
  • 3
    • 1842535990 scopus 로고    scopus 로고
    • Classification analysis of P-glycoprotein substrate specificity
    • Didziapetris, R., Japertas, P., Avdeef, A., and Petrauskas, A., Classification analysis of P-glycoprotein substrate specificity. J. Drug Target., 11, 391-406 (2003).
    • (2003) J. Drug Target , vol.11 , pp. 391-406
    • Didziapetris, R.1    Japertas, P.2    Avdeef, A.3    Petrauskas, A.4
  • 4
    • 12244271454 scopus 로고    scopus 로고
    • Predicting CNS permeability of drug molecules: Comparison of neural network and support vector machine algorithms
    • Doniger, S., Hofmann, T., and Yeh, J., Predicting CNS permeability of drug molecules: comparison of neural network and support vector machine algorithms. J. Comput. Biol., 9, 849-864 (2002).
    • (2002) J. Comput. Biol , vol.9 , pp. 849-864
    • Doniger, S.1    Hofmann, T.2    Yeh, J.3
  • 5
    • 0034609833 scopus 로고    scopus 로고
    • Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
    • Ertl, P., Rohde, B., and Selzer, P., Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J. Med. Chem., 43, 3714-3717 (2000).
    • (2000) J. Med. Chem , vol.43 , pp. 3714-3717
    • Ertl, P.1    Rohde, B.2    Selzer, P.3
  • 7
    • 0345117308 scopus 로고    scopus 로고
    • ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptors
    • Hou, T. J. and Xu, X. J., ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptors. J. Chem. Inf. Comput. Sci., 43, 2137-2152 (2003).
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 2137-2152
    • Hou, T.J.1    Xu, X.J.2
  • 8
    • 0028342648 scopus 로고
    • Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance
    • Houston, J. B., Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance. Biochem. Pharmacol., 47, 1469-1479 (1994).
    • (1994) Biochem. Pharmacol , vol.47 , pp. 1469-1479
    • Houston, J.B.1
  • 9
    • 3543026365 scopus 로고    scopus 로고
    • Comparison of the use of liver models for predicting drug clearance using in vitro kinetic data from hepatic microsomes and isolated hepatocytes
    • Ito, K. and Houston, J. B., Comparison of the use of liver models for predicting drug clearance using in vitro kinetic data from hepatic microsomes and isolated hepatocytes. Pharm. Res., 21, 785-792 (2004).
    • (2004) Pharm. Res , vol.21 , pp. 785-792
    • Ito, K.1    Houston, J.B.2
  • 10
    • 17644381224 scopus 로고    scopus 로고
    • Prediction of human drug clearance from in vitro and preclinical data using physiologically based and empirical approaches
    • Ito, K. and Houston, J. B., Prediction of human drug clearance from in vitro and preclinical data using physiologically based and empirical approaches. Pharm. Res., 22, 103-112 (2005).
    • (2005) Pharm. Res , vol.22 , pp. 103-112
    • Ito, K.1    Houston, J.B.2
  • 11
    • 23844500635 scopus 로고    scopus 로고
    • Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure
    • Jolivette, L. J. and Ward, K. W., Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure. J. Pharm. Sci., 94, 1467-1483 (2005).
    • (2005) J. Pharm. Sci , vol.94 , pp. 1467-1483
    • Jolivette, L.J.1    Ward, K.W.2
  • 12
    • 4344645978 scopus 로고    scopus 로고
    • Can the pharmaceutical industry reduce attrition rates?
    • Kola, I. and Landis, J., Can the pharmaceutical industry reduce attrition rates? Nat. Rev. Drug Discov., 3, 711-715 (2004).
    • (2004) Nat. Rev. Drug Discov , vol.3 , pp. 711-715
    • Kola, I.1    Landis, J.2
  • 13
    • 0037204551 scopus 로고    scopus 로고
    • Computer systems for the prediction of xenobiotic metabolism
    • Langowski, J. and Long, A., Computer systems for the prediction of xenobiotic metabolism. Adv. Drug Deliv. Rev., 54, 407-415 (2002).
    • (2002) Adv. Drug Deliv. Rev , vol.54 , pp. 407-415
    • Langowski, J.1    Long, A.2
  • 14
    • 0030918716 scopus 로고    scopus 로고
    • Integration of in vitro data into allometric scaling to predict hepatic metabolic clearance in man: Application to 10 extensively metabolized drugs
    • Lave, T., Dupin, S., Schmitt, C., Chou, R. C., Jaeck, D., and Coassolo, P., Integration of in vitro data into allometric scaling to predict hepatic metabolic clearance in man: application to 10 extensively metabolized drugs. J. Pharm. Sci., 86, 584-590 (1997).
    • (1997) J. Pharm. Sci , vol.86 , pp. 584-590
    • Lave, T.1    Dupin, S.2    Schmitt, C.3    Chou, R.C.4    Jaeck, D.5    Coassolo, P.6
  • 16
    • 0001280443 scopus 로고    scopus 로고
    • Substrate SARs in human P450s
    • Lewis, D. F. and Dickins, M., Substrate SARs in human P450s. Drug Discov. Today, 7, 918-925 (2002).
    • (2002) Drug Discov. Today , vol.7 , pp. 918-925
    • Lewis, D.F.1    Dickins, M.2
  • 17
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A., Lombardo, F., Dominy, B. W., and Feeney, P. J., Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev., 46, 3-26 (2001).
    • (2001) Adv. Drug Deliv. Rev , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 18
    • 4844222525 scopus 로고    scopus 로고
    • A comprehensive analysis of the role of correction factors in the allometric predictivity of clearance from rat, dog, and monkey to humans
    • Nagilla, R. and Ward, K. W., A comprehensive analysis of the role of correction factors in the allometric predictivity of clearance from rat, dog, and monkey to humans. J. Pharm. Sci., 93, 2522-2534 (2004).
    • (2004) J. Pharm. Sci , vol.93 , pp. 2522-2534
    • Nagilla, R.1    Ward, K.W.2
  • 19
    • 0034835463 scopus 로고    scopus 로고
    • Prediction of human hepatic clearance from in vivo animal experiments and in vitro metabolic studies with liver microsomes from animals and humans
    • Naritomi, Y., Terashita, S., Kimura, S., Suzuki, A., Kagayama, A., and Sugiyama, Y., Prediction of human hepatic clearance from in vivo animal experiments and in vitro metabolic studies with liver microsomes from animals and humans. Drug Metab. Dispos., 29, 1316-1324 (2001).
    • (2001) Drug Metab. Dispos , vol.29 , pp. 1316-1324
    • Naritomi, Y.1    Terashita, S.2    Kimura, S.3    Suzuki, A.4    Kagayama, A.5    Sugiyama, Y.6
  • 20
    • 0037204545 scopus 로고    scopus 로고
    • Computational approaches to the prediction of the blood-brain distribution
    • Norinder, U. and Haeberlein, M., Computational approaches to the prediction of the blood-brain distribution. Adv. Drug Deliv. Rev., 54, 291-313 (2002).
    • (2002) Adv. Drug Deliv. Rev , vol.54 , pp. 291-313
    • Norinder, U.1    Haeberlein, M.2
  • 21
    • 33947154662 scopus 로고    scopus 로고
    • PreADME
    • PreADME, http://preadmet.bmdrc.org/preadmet/index.php
  • 22
    • 0033576604 scopus 로고    scopus 로고
    • Combining in vitro and in vivo pharmacokinetic data for prediction of hepatic drug clearance in humans by artificial neural networks and multivariate statistical techniques
    • Schneider, G., Coassolo, P., and Lave, T., Combining in vitro and in vivo pharmacokinetic data for prediction of hepatic drug clearance in humans by artificial neural networks and multivariate statistical techniques. J. Med. Chem., 42, 5072-5076 (1999).
    • (1999) J. Med. Chem , vol.42 , pp. 5072-5076
    • Schneider, G.1    Coassolo, P.2    Lave, T.3
  • 24
    • 33947146015 scopus 로고
    • Seoul National University Publishers
    • Shim, C., Pharmacokinetics, Seoul National University Publishers (1994).
    • (1994) Pharmacokinetics
    • Shim, C.1
  • 25
    • 0031877469 scopus 로고    scopus 로고
    • A general approach for the prediction of the intestinal absorption of drugs: Regression analysis using the physicochemical properties and drug-membrane electrostatic interaction
    • Sugawara, M., Takekuma, Y., Yamada, H., Kobayashi, M., Iseki, K., and Miyazaki, K., A general approach for the prediction of the intestinal absorption of drugs: regression analysis using the physicochemical properties and drug-membrane electrostatic interaction. J. Pharm. Sci., 87, 960-966 (1998).
    • (1998) J. Pharm. Sci , vol.87 , pp. 960-966
    • Sugawara, M.1    Takekuma, Y.2    Yamada, H.3    Kobayashi, M.4    Iseki, K.5    Miyazaki, K.6
  • 26
    • 0037364162 scopus 로고    scopus 로고
    • ADMET in silico modelling: Towards prediction paradise?
    • van de Waterbeemd, H. and Gifford, E., ADMET in silico modelling: towards prediction paradise? Nat. Rev. Drug Discov., 2, 192-204 (2003).
    • (2003) Nat. Rev. Drug Discov , vol.2 , pp. 192-204
    • van de Waterbeemd, H.1    Gifford, E.2
  • 27
    • 0036892637 scopus 로고    scopus 로고
    • Prediction of human clearance from animal data and molecular structural parameters using multivariate regression analysis
    • Wajima, T., Fukumura, K., Yano, Y., and Oguma, T., Prediction of human clearance from animal data and molecular structural parameters using multivariate regression analysis. J. Pharm. Sci., 91, 2489-2499 (2002).
    • (2002) J. Pharm. Sci , vol.91 , pp. 2489-2499
    • Wajima, T.1    Fukumura, K.2    Yano, Y.3    Oguma, T.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.