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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 22, 2007 - Issue 1
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Research Article

Quantitative structure-activity relationships (QSARs) in inhibitors of various cytochromes P450: The importance of compound lipophilicity

David F. V. Lewis School of Biomedical and Molecular Sciences, University of Surrey, Guildford, Surrey, GU2 7XH, UK
,
Brian G. Lake School of Biomedical and Molecular Sciences, University of Surrey, Guildford, Surrey, GU2 7XH, UK; BIBRA International Limited, Woodmansterne Road, Carshalton, Surrey, SM5 4DS, UK
&
Maurice Dickins Pfizer Central Research, Ramsgate Road, Sandwich, Kent, CT13 9NJ, UK
Pages 1-6 | Received 24 Feb 2006, Accepted 17 Jul 2006, Published online: 20 Oct 2008

References

  • Lewis DFV. Cytochromes P450: Structure, function and mechanism. Taylor & Francis, London 1996
  • Lewis DFV. Guide to cytochromes P450 structure and function. Taylor & Francis, London 2001
  • Cytochrome P450. PR Ortiz de Montellano. Plenum, New York 1995
  • Cytochrome P450. PR Ortiz de Montellano. Kluwer/Plenum, New York 2005
  • Lewis DFV. 57 Varieties: the human cytochromes P450. Pharmacogeneomics 2004; 5: 305–318
  • Lewis DFV. Quantitative structure-activity relationships (QSARs) within human cytochrome P450 substrates of he CYP2 family. Toxicol in vitro 2004; 18: 89–97
  • Lewis DFV, Wiseman A, Tarbit MH. Molecular modelling of lanosterol 14α-demethylase (CYP51) from Saccharomyces cerevisiae via homology with CYP102, a unique bacterial cytochrome P450 isoform: Quantitative structure-activity relationships (QSARs) within a number of antifungal agents. J Enz Inhib 1999; 14: 175–192
  • Lewis DFV, Lake BG, Dickins M, Ueng Y-F, Goldfarb PS. Homology modelling of human CYP1A2 based on the CYP2C5 crystallographic template structure Xenobiotica. 2003; 33: 239–254
  • Lewis DFV, Gillam EMJ, Everett SA, Shimada T. Molecular modelling of human CYP1B1 substrate interactions and investigation of allelic variant effects on metabolism. Chem-Biol Inter 2003; 145: 281–295
  • Lewis DFV, Lake BG, Dickins M, Goldfarb PS. Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: Enzyme-substrate interactions. Toxicol in vitro 2003; 17: 179–190
  • Lewis DFV, Lake BG, Dickins M. Quantitative structure-activity relationships (QSARs) in CYP3A4 inhibitors: The importance of lipophilic character and hydrogen bonding. J Enz Inhib Med Chem 2006; 21: 127–132
  • Lewis DFV, Jacobs MN, Dickins M. The importance of compound lipophilicity for substrate binding to human P450s involved in drug metabolism. Drug Disc Today 2004; 9: 530–537
  • Hosea NA, Miller GP, Guengerich FP. Elucidation of distinct ligand binding sites for cytochrome P450 3A4. Biochemistry 2000; 39: 5929–5939
  • Kenworthy KE, Clarke SE, Andrews J, Houston JB. Multisite kinetic models for CYP3A4: Simultaneous activation and inhibition of diazepam and testosterone metabolism. Drug Metab Disp 2001; 29: 1644–1651
  • Lewis DFV, Wiseman A. A selective review of bacterial forms of cytochrome P450 enzymes. Enz Microbial Technol 2005; 36: 377–384

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