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Xenobiotica
the fate of foreign compounds in biological systems
Volume 34, 2004 - Issue 6
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Research Article

Homology modelling of CYP3A4 from the CYP2C5 crystallographic template: analysis of typical CYP3A4 substrate interactions

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Pages 549-569 | Received 10 Jul 2003, Published online: 22 Sep 2008

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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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David FV Lewis. (2005) Human P450s in the metabolism of drugs: molecular modelling of enzyme–substrate interactions. Expert Opinion on Drug Metabolism & Toxicology 1:1, pages 5-8.
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Articles from other publishers (15)

Martiniano Bello, Jessica E. Mendieta-Wejebe & José Correa-Basurto. (2014) Structural and energetic analysis to provide insight residues of CYP2C9, 2C11 and 2E1 involved in valproic acid dehydrogenation selectivity. Biochemical Pharmacology 90:2, pages 145-158.
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Joo Yun Lee, Nam Sook Kang & Young Kee Kang. (2011) Binding free energies of inhibitors to iron porphyrin complex as a model for Cytochrome P450. Biopolymers 97:4, pages 219-228.
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Dmitri R. Davydov, Jessica A.O. Rumfeldt, Elena V. Sineva, Harshica Fernando, Nadezhda Y. Davydova & James R. Halpert. (2012) Peripheral Ligand-binding Site in Cytochrome P450 3A4 Located with Fluorescence Resonance Energy Transfer (FRET). Journal of Biological Chemistry 287:9, pages 6797-6809.
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Chad D. Moore, Kiumars Shahrokh, Stephen F. Sontum, Thomas E. CheathamIIIIII & Garold S. Yost. (2010) Improved Cytochrome P450 3A4 Molecular Models Accurately Predict the Phe215 Requirement for Raloxifene Dehydrogenation Selectivity. Biochemistry 49:41, pages 9011-9019.
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William J. Egan. 2010. Drug Design. Drug Design 165 178 .
Jaya S. Kartha, Konstantine W. Skordos, Hao Sun, Clifton Hall, LaHoma M. Easterwood, Christopher A. Reilly, Eric F. Johnson & Garold S. Yost. (2008) Single Mutations Change CYP2F3 From a Dehydrogenase of 3-Methylindole to an Oxygenase. Biochemistry 47:37, pages 9756-9770.
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Jihoon Jung, Nam Doo Kim, Su Yeon Kim, Inhee Choi, Kwang-Hwi Cho, Won Seok Oh, Doo Nam Kim & Kyoung Tai No. (2008) Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism. Journal of Chemical Information and Modeling 48:5, pages 1074-1080.
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Nick Plant. (2007) The human cytochrome P450 sub-family: Transcriptional regulation, inter-individual variation and interaction networks. Biochimica et Biophysica Acta (BBA) - General Subjects 1770:3, pages 478-488.
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Michal Otyepka, Josef Skopalík, Eva Anzenbacherová & Pavel Anzenbacher. (2007) What common structural features and variations of mammalian P450s are known to date?. Biochimica et Biophysica Acta (BBA) - General Subjects 1770:3, pages 376-389.
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William J. Egan. 2007. Annual Reports in Medicinal Chemistry Volume 42. Annual Reports in Medicinal Chemistry Volume 42 449 467 .
D.R. Hawkins. 2007. Comprehensive Medicinal Chemistry II. Comprehensive Medicinal Chemistry II 795 807 .
P. Crivori & I. Poggesi. (2006) Computational approaches for predicting CYP-related metabolism properties in the screening of new drugs. European Journal of Medicinal Chemistry 41:7, pages 795-808.
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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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James W Paxton, Philip Kestell, Daniel Chiang, Shufeng Zhou & David FV Lewis. (2005) INHIBITION OF HUMAN CYP1A2 OXIDATION OF 5,6‐DIMETHYL‐XANTHENONE‐4‐ACETIC ACID BY ACRIDINES: A MOLECULAR MODELLING STUDY. Clinical and Experimental Pharmacology and Physiology 32:8, pages 633-639.
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Jan M. Kriegl, Thomas Arnhold, Bernd Beck & Thomas Fox. (2005) Prediction of Human Cytochrome P450 Inhibition Using Support Vector Machines. QSAR & Combinatorial Science 24:4, pages 491-502.
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