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Original Article

Quantitative Structure-Activity Relationships in Substrates, Inducers, and Inhibitors of Cytochrome P4501 (CYP1)

Pages 589-650 | Published online: 15 Feb 2010

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (4)

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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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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Articles from other publishers (37)

Keqi Hu, Hongwei Tu, Jiayi Xie, Zongying Yang, Zihuan Li, Yijing Chen & Yungang Liu. (2023) Phenylalanine Residues in the Active Site of CYP2E1 Participate in Determining the Binding Orientation and Metabolism-Dependent Genotoxicity of Aromatic Compounds. Toxics 11:6, pages 495.
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Usman Ali Ashfaq, Farah Shahid & Samman Munir. 2022. Biochemistry of Drug Metabolizing Enzymes. Biochemistry of Drug Metabolizing Enzymes 29 72 .
Alexander L. Perryman, Thomas P. Stratton, Sean Ekins & Joel S. Freundlich. (2015) Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data. Pharmaceutical Research 33:2, pages 433-449.
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Jeffrey T. Bagdanoff, Yongjin Xu, Gavin Dollinger & Eric Martin. (2015) Effect of Chirality on Common in Vitro Experiments: An Enantiomeric Pair Analysis. Journal of Medicinal Chemistry 58:15, pages 5781-5788.
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Waranya Chatuphonprasert, Tawun Remsungnen, Nobuo Nemoto & Kanokwan Jarukamjorn. (2011) Different AhR binding sites of diterpenoid ligands from Andrographis paniculata caused differential CYP1A1 induction in primary culture in mouse hepatocytes. Toxicology in Vitro 25:8, pages 1757-1763.
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Larissa Waentig, Norbert Jakubowski & Peter H. Roos. (2011) Multi-parametric analysis of cytochrome P450 expression in rat liver microsomes by LA-ICP-MS. J. Anal. At. Spectrom. 26:2, pages 310-319.
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Adelina M. Voutchkova, Thomas G. Osimitz & Paul T. Anastas. (2010) Toward a Comprehensive Molecular Design Framework for Reduced Hazard. Chemical Reviews 110:10, pages 5845-5882.
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Larry J. Jolivette & Sean Ekins. 2007. 131 176 .
Asumi Jinno, Yutaka Maruyama, Mayumi Ishizuka, Akio Kazusaka, Akio Nakamura & Shoichi Fujita. (2006) Induction of cytochrome P450-1A by the equine estrogen equilenin, a new endogenous aryl hydrocarbon receptor ligand. The Journal of Steroid Biochemistry and Molecular Biology 98:1, pages 48-55.
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Riffat A. Fatima & Masood Ahmad. (2006) Allium cepa derived EROD as a potential biomarker for the presence of certain pesticides in water. Chemosphere 62:4, pages 527-537.
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Bernard Testa, Anne-Loyse Balmat, Anthony Long & Philip Judson. (2005) Predicting Drug Metabolism - An Evaluation of the Expert SystemMETEOR. Chemistry & Biodiversity 2:7, pages 872-885.
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Anthony Long & John D. Walker. (2009) Quantitative structure‐activity relationships for predicting metabolism and modeling cytochrome P450 enzyme activities. Environmental Toxicology and Chemistry 22:8, pages 1894-1899.
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Ming-Jaw Don, David F.V. Lewis, Shu-Yun Wang, Mei-Wen Tsai & Yune-Fang Ueng. (2003) Effect of structural modification on the inhibitory selectivity of rutaecarpine derivatives on human CYP1A1, CYP1A2, and CYP1B1. Bioorganic & Medicinal Chemistry Letters 13:15, pages 2535-2538.
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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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David F.V. Lewis, Costas Ioannides & Dennis V. Parke. (2003) A quantitative structure-activity relationship (QSAR) study of mutagenicity in several series of organic chemicals likely to be activated by cytochrome P450 enzymes. Teratogenesis, Carcinogenesis, and Mutagenesis 23:S1, pages 187-193.
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Shufeng Zhou, Philip Kestell, Bruce C. Baguley & James W. Paxton. (2002) 5,6-Dimethylxanthenone-4-Acetic Acid (DMXAA): a New Biological Response Modifier for Cancer Therapy. Investigational New Drugs 20:3, pages 281-295.
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D.F.V. Lewis, M.N. Jacobs, M. Dickins & B.G. Lake. (2002) Quantitative structure–activity relationships for inducers of cytochromes P450 and nuclear receptor ligands involved in P450 regulation within the CYP1, CYP2, CYP3 and CYP4 families. Toxicology 176:1-2, pages 51-57.
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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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Jan Langowski & Anthony Long. (2002) Computer systems for the prediction of xenobiotic metabolism. Advanced Drug Delivery Reviews 54:3, pages 407-415.
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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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David Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
Shawn D. Seidel, Greg M. Winters, William J. Rogers, Michael H. Ziccardi, Violet Li, Bart Keser & Michael S. Denison. (2001) Activation of the Ah Receptor Signaling Pathway by Prostaglandins. Journal of Biochemical and Molecular Toxicology 15:4, pages 187-196.
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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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Sean Ekins & Steven A Wrighton. (2001) Application of in silico approaches to predicting drug–drug interactions. Journal of Pharmacological and Toxicological Methods 45:1, pages 65-69.
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C. Delescluse, G. Lemaire, G. de Sousa & R. Rahmani. (2000) Is CYP1A1 induction always related to AHR signaling pathway?. Toxicology 153:1-3, pages 73-82.
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Sean Ekins, Chris L Waller, Peter W Swaan, Gabriele Cruciani, Steven A Wrighton & James H Wikel. (2000) Progress in predicting human ADME parameters in silico. Journal of Pharmacological and Toxicological Methods 44:1, pages 251-272.
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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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D.F.V. Lewis. (2000) Modelling Human Cytochromes P450 for Evaluating Drug Metabolism: An Update. Drug Metabolism and Drug Interactions 16:4.
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Moreno Paolini & Giorgio Cantelli-Forti. 2000. Handbook of Oxidants and Antioxidants in Exercise. Handbook of Oxidants and Antioxidants in Exercise 1021 1051 .
Christine Sandoz, Pierre Lesca, Jean-François Narbonne & Alain Carpy. (2000) Molecular Characteristics of Carbaryl, a CYP1A1 Gene Inducer. Archives of Biochemistry and Biophysics 373:1, pages 275-280.
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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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C Sandoz, P Lesca & J.F Narbonne. (1999) Hepatic Ah receptor binding affinity for 2,3,7,8-tetrachlorodibenzo-p-dioxin: similarity between beagle dog and cynomolgus monkey. Toxicology Letters 109:1-2, pages 115-121.
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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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Michael H Tarbit & Judd Berman. (1998) High-throughput approaches for evaluating absorption, distribution, metabolism and excretion properties of lead compounds. Current Opinion in Chemical Biology 2:3, pages 411-416.
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David F.V. Lewis & Brian G. Lake. (1998) Molecular modelling and quantitative structure-activity relationship studies on the interaction of omeprazole with cytochrome P450 isozymes. Toxicology 125:1, pages 31-44.
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John C. Dearden, Martin D. Barratt, Romualdo Benigni, Douglas W. Bristol, Robert D. Combes, Mark T.D. Cronin, Philip N. Judson, Martin P. Payne, Ann M. Richard, Milon Tichy, Andrew P. Worth & Jeffrey J. Yourick. (2020) The Development and Validation of Expert Systems for Predicting Toxicity. Alternatives to Laboratory Animals 25:3, pages 223-251.
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