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Xenobiotica
the fate of foreign compounds in biological systems
Volume 25, 1995 - Issue 6
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Original Article

Molecular modelling of members of the P4502A subfamily: application to studies of enzyme specificity

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Pages 585-598 | Received 09 Sep 1994, Published online: 27 Aug 2009

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Read on this site (6)

D. F. V. Lewis, C. Ioannides & D. V. Parke. (1998) An Improved and Updated Version of the Compact Procedure for the Evaluation of P450-Mediated Chemical Activation. Drug Metabolism Reviews 30:4, pages 709-737.
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Marcel J. De Groot & Nico P. E. Vermeulen. (1997) Modeling the Active Sites of Cytochrome P450s and Glutathione S-Transferases, two of the Most Important Biotransformation Enzymes. Drug Metabolism Reviews 29:3, pages 747-799.
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Articles from other publishers (29)

Huadong Chen, Dominique N. Soroka, Jamil Haider, Karine F. Ferri-Lagneau, TinChung Leung & Shengmin Sang. (2013) [10]-Gingerdiols as the Major Metabolites of [10]-Gingerol in Zebrafish Embryos and in Humans and Their Hematopoietic Effects in Zebrafish Embryos. Journal of Agricultural and Food Chemistry 61:22, pages 5353-5360.
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Huadong Chen, Dominique Soroka, Yingdong Zhu & Shengmin Sang. (2013) Metabolism of ginger component [6]-shogaol in liver microsomes from mouse, rat, dog, monkey, and human. Molecular Nutrition & Food Research 57:5, pages 865-876.
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Manoja Pretheeban, Geoff Hammond, Stelvio Bandiera, Wayne Riggs & Dan Rurak. (2012) Ontogenesis of phase I hepatic drug metabolic enzymes in sheep. Reproduction, Fertility and Development 24:3, pages 425.
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Stefanie D. Krämer & Bernard Testa. (2008) The Biochemistry of Drug Metabolism – An Introduction. Chemistry & Biodiversity 5:12, pages 2465-2578.
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Carol A. Kemp, Jean-Didier Maréchal & Michael J. Sutcliffe. (2005) Progress in cytochrome P450 active site modeling. Archives of Biochemistry and Biophysics 433:2, pages 361-368.
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D.F.V. Lewis, B.G. Lake, M. Dickins & P.S. Goldfarb. (2003) Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: enzyme–substrate interactions and QSARs for binding affinity and inhibition. Toxicology in Vitro 17:2, pages 179-190.
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Anna Gorokhov, Masahiko Negishi, Eric F. Johnson, Lars C. Pedersen, Lalith Perera, Tom A. Darden & Lee G. Pedersen. (2003) Explicit Water Near the Catalytic I Helix Thr in the Predicted Solution Structure of CYP2A4. Biophysical Journal 84:1, pages 57-68.
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David F.V. Lewis. (2002) Modelling human cytochromes P450 involved in drug metabolism from the CYP2C5 crystallographic template. Journal of Inorganic Biochemistry 91:4, pages 502-514.
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Satoshi Daigo, Yoshiki Takahashi, Masaki Fujieda, Noritaka Ariyoshi, Hiroshi Yamazaki, Wasaburo Koizumi, Satoshi Tanabe, Katsunori Saigenji, Sekio Nagayama, Kazumasa Ikeda, Yasuhiko Nishioka & Tetsuya Kamataki. (2002) A novel mutant allele of the CYP2A6 gene (CYP2A6*11) found in a cancer patient who showed poor metabolic phenotype towards tegafur. Pharmacogenetics 12:4, pages 299-306.
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Stewart B Kirton, Carol A Baxter & Michael J Sutcliffe. (2002) Comparative modelling of cytochromes P450. Advanced Drug Delivery Reviews 54:3, pages 385-406.
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David Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
Kyoko Kitagawa, Naoki Kunugita, Masatoshi Kitagawa & Toshihiro Kawamoto. (2001) CYP2A6*6, a Novel Polymorphism in Cytochrome P450 2A6, Has a Single Amino Acid Substitution (R128Q) That Inactivates Enzymatic Activity. Journal of Biological Chemistry 276:21, pages 17830-17835.
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David F?V Lewis. (2001) COMPACT: a structural approach to the modelling of cytochromes P450 and their interactions with xenobiotics. Journal of Chemical Technology & Biotechnology 76:3, pages 237-244.
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Madeleine Nyman, Hannu Raunio, Päivi Taavitsainen & Olavi Pelkonen. (2001) Characterization of xenobiotic-metabolizing cytochrome P450 (CYP) forms in ringed and grey seals from the Baltic Sea and reference sites. Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology 128:1, pages 99-112.
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Alaattin Sen, Chin‐Hwa Hu, Ena Urbach, Jun‐Lan Wang‐Buhler, Yea‐Huey Yang, Emel Arinc & Donald R. Buhler. (2001) Cloning, sequencing, and characterization of CYP1A1 cDNA from leaping mullet ( Liza Saliens ) liver and implications for the potential functions of its conserved amino acids . Journal of Biochemical and Molecular Toxicology 15:5, pages 243-255.
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David F.V. Lewis. (2000) On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics. Biochemical Pharmacology 60:3, pages 293-306.
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Grazyna D. Szklarz, Sandra E. Graham & Mark D. Paulsen. 2000. 53 87 .
David F.V. Lewis, Brian G. Lake, Stephen G. George, Maurice Dickins, Peter J. Eddershaw, Michael H. Tarbit, Alan P. Beresford, Peter S. Goldfarb & F.Peter Guengerich. (1999) Molecular modelling of CYP1 family enzymes CYP1A1, CYP1A2, CYP1A6 and CYP1B1 based on sequence homology with CYP102. Toxicology 139:1-2, pages 53-79.
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B.G Lake. (1999) Coumarin Metabolism, Toxicity and Carcinogenicity: Relevance for Human Risk Assessment. Food and Chemical Toxicology 37:4, pages 423-453.
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A Rodrigues. 1999. Handbook of Drug Metabolism. Handbook of Drug Metabolism 279 320 .
D.F.V Lewis, M Dickins, B.G Lake, P.J Eddershaw, M.H Tarbit & P.S Goldfarb. (1999) Molecular modelling of the human cytochrome P450 isoform CYP2A6 and investigations of CYP2A substrate selectivity. Toxicology 133:1, pages 1-33.
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David FV Lewis, Costas Ioannides & Dennis V Parke. (2016) A combined COMPACT and HazardExpert study of 40 chemicals for which information on mutagenicity and carcinogenicity is known, including the results of human epidemiological studies. Human & Experimental Toxicology 17:10, pages 577-586.
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D.F.V. Lewis, P.J. Eddershaw, M. Dickins, M.H. Tarbit & P.S. Goldfarb. (1998) Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate. Chemico-Biological Interactions 115:3, pages 175-199.
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D.F.V. Lewis, E. Watson & B.G. Lake. (1998) Evolution of the cytochrome P450 superfamily: sequence alignments and pharmacogenetics. Mutation Research/Reviews in Mutation Research 410:3, pages 245-270.
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Ole Sibbesen, Zhoupeng Zhang & Paul R. Ortiz de Montellano. (1998) Cytochrome P450camSubstrate Specificity: Relationship between Structure and Catalytic Oxidation of Alkylbenzenes. Archives of Biochemistry and Biophysics 353:2, pages 285-296.
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Grazyna D Szklarz & James R Halpert. (1997) USE OF HOMOLOGY MODELING IN CONJUNCTION WITH SITE-DIRECTED MUTAGENESIS FOR ANALYSIS OF STRUCTURE-FUNCTION RELATIONSHIPS OF MAMMALIAN CYTOCHROMES P450. Life Sciences 61:26, pages 2507-2520.
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Dennis A. Smith, Mark J. Ackland & Barry C. Jones. (1997) Properties of cytochrome P450 isoenzymes and their substrates Part 1: active site characteristics. Drug Discovery Today 2:10, pages 406-414.
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David F.V. Lewis, Michael G. Bird & Dennis V. Parke. (1997) Molecular modelling of CYP2E1 enzymes from rat, mouse and man: An explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity. Toxicology 118:2-3, pages 93-113.
Crossref
A. David Rodrigues & Shekman L. Wong. 1997. 65 101 .

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