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Integrated in Silico−in Vitro Strategy for Addressing Cytochrome P450 3A4 Time-Dependent Inhibition

https://doi.org/10.1021/tx900417f
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models
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Can we estimate the accuracy of ADME–Tox predictions?
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An automated, high-throughput, 384 well Cytochrome P450 cocktail IC50 assay using a rapid resolution LC–MS/MS end-point
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Development of an in vitro drug–drug interaction assay to simultaneously monitor five cytochrome P450 isoforms and performance assessment using drug library compounds
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Three- and Four-Dimensional Quantitative Structure Activity Relationship Analyses of Cytochrome P-450 3A4 Inhibitors
inferredcites →https://doi.org/10.1016/s0022-3565(24)35117-1openalex-snapshot
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Further Characterization of the Expression in Liver and Catalytic Activity of CYP2B6
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Cytochrome P450 inhibitors. Evaluation of specificities in the in vitrometabolism of therapeutic agents by human liver microsomes.
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QSAR Modeling of in Vitro Inhibition of Cytochrome P450 3A4*
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Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction
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Novel Hierarchical Classification and Visualization Method for Multiobjective Optimization of Drug Properties: Application to Structure−Activity Relationship Analysis of Cytochrome P450 Metabolism
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Classification of Kinase Inhibitors Using a Bayesian Model
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Greater Than the Sum of Its Parts: Combining Models for Useful ADMET Prediction
inferredcites →https://doi.org/10.1021/jm060333sopenalex-snapshot
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THE ROLE OF CYP2B6 IN HUMAN XENOBIOTIC METABOLISM*
inferredcites →https://doi.org/10.1081/dmr-100102338openalex-snapshot
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inferredcites →https://doi.org/10.1097/00008571-199706000-00001openalex-snapshot
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inferredcites →https://doi.org/10.1124/dmd.105.005579openalex-snapshot
AUTOMATED ASSESSMENT OF TIME-DEPENDENT INHIBITION OF HUMAN CYTOCHROME P450 ENZYMES USING LIQUID CHROMATOGRAPHY-TANDEM MASS SPECTROMETRY ANALYSIS
inferredcites →https://doi.org/10.1124/dmd.106.012633openalex-snapshot
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inferredcites →https://doi.org/10.1124/dmd.106.014613openalex-snapshot
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inferredcites →https://doi.org/10.1124/dmd.31.7.945openalex-snapshot
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GENERATION AND VALIDATION OF RAPID COMPUTATIONAL FILTERS FOR CYP2D6 AND CYP3A4
inferredcites →https://doi.org/10.1177/1087057104274091openalex-snapshot
Development of CYP3A4 Inhibition Models: Comparisons of Machine-Learning Techniques and Molecular Descriptors
inferredcites →https://doi.org/10.1177/1087057105281365openalex-snapshot
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Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
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