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Xenobiotica
the fate of foreign compounds in biological systems
Volume 30, 2000 - Issue 1
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Research Article

Molecular modelling of human CYP2E1 by homology with the CYP102 haemoprotein domain: investigation of the interactions of substrates and inhibitors within the putative active site of the human CYP2E1 isoform

D. F. V. Lewis, M. G. Bird, M. Dickins, B. G. Lake, P. J. Eddershaw, M. H. Tarbit, P. S. Goldfarb Molecular Toxicology Group, School of Biological Sciences, University of Surrey,Guildford, GU2 5XH, UK
Pages 1-25 | Published online: 27 Aug 2009

Citations (18)

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Read on this site (2)

Jose M Jimenez-Lopez & Arthur I Cederbaum. (2005) CYP2E1-dependent oxidative stress and toxicity: role in ethanol-induced liver injury. Expert Opinion on Drug Metabolism & Toxicology 1:4, pages 671-685.
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David F.V. Lewis & Maurice Dickins. (2001) Quantitative Structure-Activity Relationships (QSARs) Within Series of Inhibitors for Mammalian Cytochromes P450 (CYPs). Journal of Enzyme Inhibition 16:4, pages 321-330.
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Articles from other publishers (16)

B. van de Wier, J.M. Balk, A. Bast, G.H. Koek & G.R.M.M. Haenen. (2015) Chemical characteristics for optimizing CYP2E1 inhibition. Chemico-Biological Interactions 242, pages 139-144.
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Laura E. Martikainen, Minna Rahnasto-Rilla, Silvie Neshybova, Maija Lahtela-Kakkonen, Hannu Raunio & Risto O. Juvonen. (2012) Interactions of inhibitor molecules with the human CYP2E1 enzyme active site. European Journal of Pharmaceutical Sciences 47:5, pages 996-1005.
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Zuzana Červinková, Pavla Křiváková, Anna Lábajová, Tomáš Roušar, Halka Lotková, Otto Kučera, René Endlicher, Miroslav Červinka & Zdeněk Drahota. (2008) Mechanisms participating in oxidative damage of isolated rat hepatocytes. Archives of Toxicology 83:4, pages 363-372.
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Filip Fratev & Emilio Benfenati. (2008) A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals. Journal of Molecular Graphics and Modelling 27:2, pages 147-160.
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I. M. Danko & N. A. Chaschin. (2007) Structure-functional characterization of cytochrome P4502E1 (CYP2E1). Biopolymers and Cell 23:2, pages 67-85.
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Destiny M. Davenport & Michael J. Wargovich. (2005) Modulation of cytochrome P450 enzymes by organosulfur compounds from garlic. Food and Chemical Toxicology 43:12, pages 1753-1762.
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Brad Reisfeld & Raymond S.H. Yang. (2004) A reaction network model for CYP2E1-mediated metabolism of toxicant mixtures. Environmental Toxicology and Pharmacology 18:2, pages 173-179.
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David F.V. Lewis. (2004) Quantitative structure–activity relationships (QSARs) for substrates of human cytochromes P450 CYP2 family enzymes. Toxicology in Vitro 18:1, pages 89-97.
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David F. V. Lewis. (2003) Quantitative structure–activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s. InflammoPharmacology 11:1, pages 43-73.
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D.F.V Lewis, B.G Lake, M.G Bird, G.D Loizou, M Dickins & P.S Goldfarb. (2003) Homology modelling of human CYP2E1 based on the CYP2C5 crystal structure: investigation of enzyme–substrate and enzyme–inhibitor interactions. Toxicology in Vitro 17:1, pages 93-105.
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David F. V. Lewis, Craig Sams & George D. Loizou. (2003) A quantitative structure–activity relationship analysis on a series of alkyl benzenes metabolized by human cytochrome P450 2E1. Journal of Biochemical and Molecular Toxicology 17:1, pages 47-52.
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D FV LewisM G Bird & M N Jacobs. (2016) Human carcinogens: an evaluation study via the COMPACT and HazardExpert procedures. Human & Experimental Toxicology 21:3, pages 115-122.
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D.F.V Lewis & M Dickins. (2002) Factors influencing rates and clearance in P450-mediated reactions: QSARs for substrates of the xenobiotic-metabolizing hepatic microsomal P450s. Toxicology 170:1-2, pages 45-53.
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Michael G Bird, David F.V Lewis, Frederick T Whitman, R.Jeffrey Lewis, Robert T Przygoda & Gisela Witz. (2001) Application of process chemistry and SAR modelling to the evaluation of health findings of lower olefins. Chemico-Biological Interactions 135-136, pages 571-584.
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Matthew D. Wessel & Scot Mente. 2001. 257 266 .
David F.V. Lewis. (2000) Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles. Toxicology 144:1-3, pages 197-203.
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