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Research Article

Baseline Lipophilicity Relationships in Human Cytochromes P450 Associated with Drug Metabolism

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Pages 1-18 | Published online: 19 Feb 2003

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John A Arnott & Sonia Lobo Planey. (2012) The influence of lipophilicity in drug discovery and design. Expert Opinion on Drug Discovery 7:10, pages 863-875.
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Michael J Waring. (2010) Lipophilicity in drug discovery. Expert Opinion on Drug Discovery 5:3, pages 235-248.
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Paul Czodrowski, Jan M Kriegl, Stefan Scheuerer & Thomas Fox. (2009) Computational approaches to predict drug metabolism. Expert Opinion on Drug Metabolism & Toxicology 5:1, pages 15-27.
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David F.V. Lewis, Brian G. Lake, Yuko Ito & Maurice Dickins. (2006) Lipophilicity Relationships in Inhibitors of CYP2C9 and CYP2C19 Enzymes. Journal of Enzyme Inhibition and Medicinal Chemistry 21:4, pages 385-389.
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David F.V. Lewis, Brian G. Lake & Maurice Dickins. (2006) Quantitative structure–activity relationships (QSARs) in CYP3A4 inhibitors: The importance of lipophilic character and hydrogen bonding. Journal of Enzyme Inhibition and Medicinal Chemistry 21:2, pages 127-132.
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Zhennan Zhang, Zhe Sun, Yaozhen Ye & Xianqin Wang. (2020) Determination of Main Compositions in Phyllanthus Urinaria and its Effects on Cyp450 in Rats. Current Pharmaceutical Analysis 16:5, pages 520-528.
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Yusra Sajid Kiani & Ishrat Jabeen. (2019) Lipophilic Metabolic Efficiency (LipMetE) and Drug Efficiency Indices to Explore the Metabolic Properties of the Substrates of Selected Cytochrome P450 Isoforms. ACS Omega 5:1, pages 179-188.
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Mieneke Pouwelse, Roelie Mulder & Eva Gemzøe Mikkelsen. 2018. Pathways of Job-related Negative Behaviour. Pathways of Job-related Negative Behaviour 1 39 .
Lydia Benkaidali, François André, Gautier Moroy, Bahoueddine Tangour, François Maurel & Michel Petitjean. (2017) The Cytochrome P450 3A4 has three Major Conformations: New Clues to Drug Recognition by this Promiscuous Enzyme. Molecular Informatics 36:10, pages 1700044.
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Anita Emmerstorfer, Miriam Wimmer-Teubenbacher, Tamara Wriessnegger, Erich Leitner, Monika Müller, Iwona Kaluzna, Martin Schürmann, Daniel Mink, Günther Zellnig, Helmut Schwab & Harald Pichler. (2015) Over-expression of ICE2 stabilizes cytochrome P450 reductase in Saccharomyces cerevisiae and Pichia pastoris . Biotechnology Journal 10:4, pages 623-635.
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John Eksterowicz, Dan A. Rock, Brooke M. Rock, Larry C. Wienkers & Robert S. Foti. (2014) Characterization of the Active Site Properties of CYP4F12. Drug Metabolism and Disposition 42:10, pages 1698-1707.
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Alessandra PirovanoMark A. J. HuijbregtsAd M. J. RagasA. Jan Hendriks. (2012) Compound Lipophilicity as a Descriptor to Predict Binding Affinity (1/ K m ) in Mammals . Environmental Science & Technology 46:9, pages 5168-5174.
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Thomas Peyret & Kannan Krishnan. (2012) Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans. Journal of Toxicology 2012, pages 1-22.
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Regina Appiah-Opong, Iwan de Esch, Jan N.M. Commandeur, Mayagustina Andarini & Nico P.E. Vermeulen. (2008) Structure–activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. European Journal of Medicinal Chemistry 43:8, pages 1621-1631.
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Igor Shamovsky, Stephen Connolly, Laurent David, Svetlana Ivanova, Bo Nordén, Brian Springthorpe & Klaus Urbahns. (2008) Overcoming Undesirable hERG Potency of Chemokine Receptor Antagonists Using Baseline Lipophilicity Relationships. Journal of Medicinal Chemistry 51:5, pages 1162-1178.
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Thomas Fox & Jan M. Kriegl. 2007. 63 81 .
Kazuki Shimizu, Akira Kawase, Tsuyoshi Haneishi, Yasuharu Kato, Kazutomo Kinoshita, Masayuki Ohmori, Yoshiyuki Furuta, Takashi Emura, Nobuaki Kato, Tetsuya Mitsui, Koji Yamaguchi, Keiichi Morita, Nobuo Sekiguchi, Tessai Yamamoto, Tomochika Matsushita, Shin Shimaoka, Atsuko Sugita & Kazumi Morikawa. (2006) Design and evaluation of new antipsoriatic antedrug candidates having 16-en-22-oxa-vitamin D3 structures. Bioorganic & Medicinal Chemistry Letters 16:12, pages 3323-3329.
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David F.V. Lewis, Brian G. Lake, Yuko Ito & Pavel Anzenbacher. (2006) QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSARs) WITHIN CYTOCHROMES P450 2B (CYP2B) SUBFAMILY ENZYMES: THE IMPORTANCE OF LIPOPHILICITY FOR BINDING AND METABOLISM. Drug Metabolism and Drug Interactions 21:3-4.
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David F.V. Lewis, Yuko Ito & Peter S. Goldfarb. (2005) Cytochrome P450 structures and their substrate interactions. Drug Development Research 66:1, pages 19-24.
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Xiang He, Max J. Cryle, James J. De Voss & Paul R. Ortiz de Montellano. (2005) Calibration of the Channel That Determines the ω-Hydroxylation Regiospecificity of Cytochrome P4504A1. Journal of Biological Chemistry 280:24, pages 22697-22705.
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Matthew J. Walker. (2004) Training ACD/LogP with Experimental Data. QSAR & Combinatorial Science 23:7, pages 515-520.
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David F.V. Lewis, Miriam N. Jacobs & Maurice Dickins. (2004) Compound lipophilicity for substrate binding to human P450s in drug metabolism. Drug Discovery Today 9:12, pages 530-537.
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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. Dickins & P.S. Goldfarb. (2002) Molecular Modelling of CYP2B6 Based on Homology with the CYP2C5 Crystal Structure: Analysis of Enzyme-Substrate Interactions. Drug Metabolism and Drug Interactions 19:2.
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