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Xenobiotica
the fate of foreign compounds in biological systems
Volume 25, 1995 - Issue 12
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Research Article

Molecular orbital-generated QSARs in a homologous series of alkoxyresorufins and studies of their interactive docking with P450s

D. F. V. Lewis School of Biological Sciences, University of Surrey, Guildford, GU2 5XH, UK
,
B. G. Lake BIBRA Toxicology International, Woodmansterne Road, Carshalton, SM5 4DS, UK
&
D. V. Parke School of Biological Sciences, University of Surrey, Guildford, GU2 5XH, UK
Pages 1355-1369 | Received 01 Apr 1995, Published online: 22 Sep 2008

Citations (14)

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Read on this site (4)

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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David F. V. Lewis. (1997) Quantitative Structure-Activity Relationships in Substrates, Inducers, and Inhibitors of Cytochrome P4501 (CYP1). Drug Metabolism Reviews 29:3, pages 589-650.
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D. F. V. Lewis, P. J. Eddershaw, P. S. Goldfarb & M. H. Tarbit. (1996) Molecular modelling of CYP3A4 from an alignment with CYP102: Identification of key interactions between putative active site residues and CYP3A-specific chemicals. Xenobiotica 26:10, pages 1067-1086.
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D. F. V. Lewis & B. G. Lake. (1996) Molecular modelling of CYP1A subfamily members based on an alignment with CYP102: rationalization of CYP1A substrate specificity in terms of active site amino acid residues. Xenobiotica 26:7, pages 723-753.
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Articles from other publishers (10)

Shahriar Haji-Momenian, Jayson M Rieger, Timothy L Macdonald & Milton L Brown. (2003) Comparative molecular field analysis and QSAR on substrates binding to cytochrome P450 2D6. Bioorganic & Medicinal Chemistry 11:24, pages 5545-5554.
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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 Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
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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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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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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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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Yen-ling Cheung, David F.V. Lewis, T.Ian Ridd, Timothy J.B. Gray & Costas Ioannides. (1997) Diaminonaphthalenes and related aminocompounds: Mutagenicity, CYP1A induction and interaction with the Ah receptor. Toxicology 118:2-3, pages 115-127.
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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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