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Research Article

Molecular Modeling of Enzymes and Receptors Involved in Carcinogenesis: Qsars and Compacted-3D

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Pages 261-285 | Published online: 22 Sep 2008

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Slobodan Rendic. (2002) Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metabolism Reviews 34:1-2, pages 83-448.
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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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Dennis V. Parke. (1997) A History of Drug Metabolism in the United Kingdom. Drug Metabolism Reviews 29:3, pages 801-851.
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Articles from other publishers (33)

Qingbiao Huang & Grazyna D. Szklarz. (2010) Significant Increase in Phenacetin Oxidation on L382V Substitution in Human Cytochrome P450 1A2. Drug Metabolism and Disposition 38:7, pages 1039-1045.
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David Livingstone. 2009. A Practical Guide to Scientific Data Analysis. A Practical Guide to Scientific Data Analysis 249 308 .
Richard H. Hinton, Paul Grasso & Timothy C. Marrs. 2009. General, Applied and Systems Toxicology. General, Applied and Systems Toxicology.
Peter Hlavica. (2006) Functional interaction of nitrogenous organic bases with cytochrome P450: A critical assessment and update of substrate features and predicted key active-site elements steering the access, binding, and orientation of amines. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 1764:4, pages 645-670.
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Robert Combes & Rosemary Rodford. 2004. Predicting Chemical Toxicity and Fate. Predicting Chemical Toxicity and Fate.
Young‐Jin Chun & Sanghee Kim. (2003) Discovery of cytochrome P450 1B1 inhibitors as new promising anti‐cancer agents. Medicinal Research Reviews 23:6, pages 657-668.
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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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Andrew W Munro, David G Leys, Kirsty J McLean, Ker R Marshall, Tobias W.B Ost, Simon Daff, Caroline S Miles, Stephen K Chapman, Dominikus A Lysek, Christopher C Moser, Christopher C Page & P.Leslie Dutton. (2002) P450 BM3: the very model of a modern flavocytochrome. Trends in Biochemical Sciences 27:5, pages 250-257.
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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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David Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
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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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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Kelly A. Regal & Sidney D. Nelson. (2000) Orientation of Caffeine within the Active Site of Human Cytochrome P450 1A2 Based on NMR Longitudinal (T1) Relaxation Measurements. Archives of Biochemistry and Biophysics 384:1, pages 47-58.
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D.F.V. Lewis, M. Dickins, P.J. Eddershaw, M.H. Tarbit & P.S. Goldfarb. (1999) Cytochrome P450 Substrate Specificities, Substrate Structural Templates and Enzyme Active Site Geometries. Drug Metabolism and Drug Interactions 15:1, pages 1-50.
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A. Baeten, M. Tafazoli, M. Kirsch-Volders & P. Geerlings. (1999) Use of the HSAB principle in quantitative structure-activity relationships in toxicological research: Application to the genotoxicity of chlorinated hydrocarbons. International Journal of Quantum Chemistry 74:3, pages 351-355.
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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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Merel Toussaint, René van Herwijnen & John R. Parsons. 1998. Biodegradation of Dioxins and Furans. Biodegradation of Dioxins and Furans 29 60 .
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.
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D. F. V. Lewis. 1997. Food Chemical Risk Analysis. Food Chemical Risk Analysis 163 194 .
C. L. Broadhead, R. D. Combes & M. Balls. 1997. Food Chemical Risk Analysis. Food Chemical Risk Analysis 133 162 .
D. BRUCE CAMPBELL. (1996) Extrapolation from Animals to Man.. Annals of the New York Academy of Sciences 801:1 Cellular and, pages 116-135.
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Caren L. Broadhead & Robert D. Combes. (2020) FRAME Recommendations for the Application of the Three Rs to the Regulatory Toxicity Testing of Food Additives. Alternatives to Laboratory Animals 24:4, pages 467-472.
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D.F.V. Lewis & G.R. Langley. (1996) A validation study of the COMPACT and HazardExpert techniques with 40 chemicals. Mutation Research/Genetic Toxicology 369:3-4, pages 157-174.
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E. A. Rekka & P. N. Kourounakis. (1996) An approach to QSAR of 16-substituted pregnenolones as microsomal enzyme inducers. European Journal of Drug Metabolism and Pharmacokinetics 21:1, pages 7-11.
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Mark D. Paulsen, John I. Manchester & Rick L. Ornstein. 1996. Cytochrome P450, Part B. Cytochrome P450, Part B 347 357 .
Robert D. Combes & Philip Judson. (1995) The use of artificial intelligence systems for predicting toxicity. Pesticide Science 45:2, pages 179-194.
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David F.V. Lewis, Costas Ioannides & Dennis V. Parke. (1995) A quantitative structure-activity relationship study on a series of 10 para-substituted toluenes binding to cytochrome P4502B4 (CYP2B4), and their hydroxylation rates. Biochemical Pharmacology 50:5, pages 619-625.
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J Ramlow & L Bloemen. (1995) Drinking water and leukemia.. Environmental Health Perspectives 103:6, pages 538-541.
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D. F. V. Lewis, C. Ioannides & D. V. Parke. (1995) Response. Environmental Health Perspectives 103:6, pages 537-538.
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Robert D. Combes. (2020) Regulatory Genotoxicity Testing: A Critical Appraisal. Alternatives to Laboratory Animals 23:3, pages 352-379.
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M. Strolin Benedetti, P. Tocchetti, M. Rocchetti, M. Martignoni, P. Marrari, I. Poggesi & P. Dostert. 1995. Current Neurochemical and Pharmacological Aspects of Biogenic Amines - Their Function, Oxidative Deamination and Inhibition. Current Neurochemical and Pharmacological Aspects of Biogenic Amines - Their Function, Oxidative Deamination and Inhibition 123 134 .
Susanna J. Brown, Asad A. Raja & David F.V. Lewis. (2020) A Comparison between COMPACT and Hazardexpert Evaluations for 80 Chemicals Tested by the NTP/NCI Rodent Bioassay. Alternatives to Laboratory Animals 22:6, pages 482-501.
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