Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes (original) (raw)
Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions
Mark Paine
British Journal of Pharmacology, 2009
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Modeling Chemical Interaction Profiles: I. Spectral Data-Activity Relationship and Structure-Activity Relationship Models for Inhibitors and Non-inhibitors of Cytochrome P450 CYP3A4 and CYP2D6 Isozymes
Richard Beger
Molecules, 2012
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Computational Prediction of Inhibitors and Inducers of the Major Isoforms of Cytochrome P450
Vladimir Poroikov
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In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms
Vladimir Poroikov
Pharmaceutics
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Computational modeling of P450s for toxicity prediction
Nitish Kumar Mishra
Expert Opinion on Drug Metabolism & Toxicology, 2011
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Mechanism-based inhibition of cytochrome P450 enzymes: An evaluation of early decision making in vitro approaches and drug–drug interaction prediction methods
Ken Grime
European Journal of Pharmaceutical Sciences, 2009
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A Novel Approach to Predicting P450 Mediated Drug Metabolism. CYP2D6 Catalyzed N-Dealkylation Reactions and Qualitative Metabolite Predictions Using a Combined Protein and Pharmacophore Model for CYP2D6
Alexander istia Alex
Journal of Medicinal Chemistry, 1999
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A unified proteochemometric model for prediction of inhibition of cytochrome P450 isoforms
Ola Spjuth
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Cytochromes P450 and experimental models of drug metabolism
Eva Anzenbacherova
Journal of Cellular and Molecular Medicine, 2002
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Minireview PHARMACOPHORE AND THREE-DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP METHODS FOR MODELING CYTOCHROME P450 ACTIVE SITES
Archbald Chakalila
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In-silico endogenic substrate prediction study of Cytochrome P450 1B1 (CYP1B1)
Rahul Vishvkarma
2019
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Modeling Chemical Interaction Profiles: II. Molecular Docking, Spectral Data-Activity Relationship, and Structure-Activity Relationship Models for Potent and Weak Inhibitors of Cytochrome P450 CYP3A4 Isozyme
Richard Beger
Molecules, 2012
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The Utility of in Vitro Cytochrome P450 Inhibition Data in the Prediction of Drug-Drug Interactions
Larry Tremaine
Journal of Pharmacology and Experimental Therapeutics, 2005
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A Novel Model for the Prediction of Drug-Drug Interactions in Humans Based on in Vitro Cytochrome P450 Phenotypic Data
Lisa von Moltke
Drug Metabolism and Disposition, 2006
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A Mechanism-Based Model for the Prediction of the Metabolic Sites of Steroids Mediated by Cytochrome P450 3A4
jiayue wang
International Journal of Molecular Sciences, 2015
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A Kinetic Model for the Metabolic Interaction of Two Substrates at the Active Site of Cytochrome P450 3A4
Thomas Rushmore
Journal of Biological Chemistry, 2001
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Cytochromes P450 in the Bioactivation of Chemicals
Costas Ioannides
Current Topics in Medicinal Chemistry, 2004
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Discerning Relationships Among Human Cytochrome P450s by Computational Analyses
Rajeev Soni, Kulvinder Saini
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In vitro cytochrome P450 inhibition data and the prediction of drug-drug interactions: qualitative relationships, quantitative predictions, and the rank-order approach
Larry Tremaine
Clinical pharmacology and therapeutics, 2005
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2D SMARTCyp Reactivity-Based Site of Metabolism Prediction for Major Drug-Metabolizing Cytochrome P450 Enzymes
Gregory Tawa
Journal of Chemical Information and Modeling, 2012
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Integrated in Vitro Analysis for the in Vivo Prediction of Cytochrome P450-Mediated Drug-Drug Interactions
James Tucker
Drug Metabolism and Disposition, 2008
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Heterologous expression of CYP102A5 variant from Bacillus cereus CYPPB-1: Validation of model for predicting drug metabolism of human P450 probe substrates
prakasham Reddy shetty
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Prediction of cytochrome P 450 isoform responsible for metabolizing a drug molecule
Gajendra P S Raghava
BMC pharmacology, 2010
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SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions
Stefan Guenther, Robert Preissner
Nucleic Acids Research, 2010
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Murburn precepts for cytochrome P450 mediated drug/xenobiotic metabolism
Abhinav Parashar
2020
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Do Cytochrome P450 Enzymes Contribute to the Metabolism of Xenobiotics in Human?
Sampo Mattila
intechopen.com
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The role of polymorphic cytochrome P450 enzymes in drug design, development and drug interactions with a special emphasis on phenotyping
Emel Arinc
J Mol Catal B Enzym, 2010
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Extension of a predictive substrate model for human cytochrome P4502D6
Célia Fonseca Guerra
1997
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Cytochromes P450 and metabolism of xenobiotics
Eva Anzenbacherova
Cellular and Molecular Life …, 2001
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Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6
philippe vayer
Bioinformatics (Oxford, England), 2015
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Molecular modeling of mammalian cytochrome P450s
Fred Friedman
2000
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A Refined 3-Dimensional QSAR of Cytochrome P450 2C9: Computational Predictions of Drug Interactions
Ron Aoyama, Sreedhara Voleti
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