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QSAR Modeling of in Vitro Inhibition of Cytochrome P450 3A4*
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/qsar.200430932openalex-snapshot
QSAR Strategy and Experimental Validation for the Development of a GPCR Focused Library
inferredcites →https://doi.org/10.1006/abbi.2001.2401openalex-snapshot
Covalent Alteration of the CYP3A4 Active Site: Evidence for Multiple Substrate Binding Domains
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1016/j.ejps.2004.12.009openalex-snapshot
Multivariate modeling of cytochrome P450 3A4 inhibition
inferredcites →https://doi.org/10.1016/s0006-2952(96)00836-2openalex-snapshot
Drug-drug interactions: Effect of quinidine on nifedipine binding to human cytochrome P450 3A4
inferredcites →https://doi.org/10.1016/s0022-3565(24)39272-9openalex-snapshot
Dual Role of Human Cytochrome P450 3A4 Residue Phe-304 in Substrate Specificity and Cooperativity
inferredcites →https://doi.org/10.1016/s0090-9556(24)13672-0openalex-snapshot
Substrate-Dependent Modulation of CYP3A4 Catalytic Activity: Analysis of 27 Test Compounds with Four Fluorometric Substrates
inferredcites →https://doi.org/10.1016/s0165-6147(03)00049-xopenalex-snapshot
In vitro and pharmacophore insights into CYP3A enzymes
inferredcites →https://doi.org/10.1016/s0169-409x(02)00009-1openalex-snapshot
Pharmacophore modeling of cytochromes P450
inferredcites →https://doi.org/10.1021/bi00187a009openalex-snapshot
Activation of CYP3A4: Evidence for the Simultaneous Binding of Two Substrates in a Cytochrome P450 Active Site
inferredcites →https://doi.org/10.1021/bi992765topenalex-snapshot
Elucidation of Distinct Ligand Binding Sites for Cytochrome P450 3A4
inferredcites →https://doi.org/10.1021/ci030283popenalex-snapshot
Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition
inferredcites →https://doi.org/10.1021/ci0342876openalex-snapshot
SVM-Based Feature Selection for Characterization of Focused Compound Collections
inferredcites →https://doi.org/10.1021/jm00061a004openalex-snapshot
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies
inferredcites →https://doi.org/10.1021/jm030972sopenalex-snapshot
Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors
inferredcites →https://doi.org/10.1023/a:1025702009611openalex-snapshot
QSAR Analysis of the Inhibition of Recombinant CYP 3A4 Activity by Structurally Diverse Compounds Using a Genetic Algorithm-Combined Partial Least Squares Method
inferredcites →https://doi.org/10.1074/jbc.m008799200openalex-snapshot
A Kinetic Model for the Metabolic Interaction of Two Substrates at the Active Site of Cytochrome P450 3A4
inferredcites →https://doi.org/10.1081/dmr-120001392openalex-snapshot
Summary of information on human CYP enzymes: human P450 metabolism data
inferredcites →https://doi.org/10.1111/j.1349-7006.2004.tb03243.xopenalex-snapshot
Cytochrome P450 gene expression levels in peripheral blood mononuclear cells in comparison with the liver
inferredcites →https://doi.org/10.1124/dmd.30.4.452openalex-snapshot
CYP3A4 Active Site Volume Modification by Mutagenesis of Leucine 211
inferredcites →https://doi.org/10.1124/dmd.30.7.845openalex-snapshot
Cytochrome P450 Fluorometric Substrates: Identification of Isoform-Selective Probes for Rat CYP2D2 and Human CYP3A4.
inferredcites →https://doi.org/10.1124/dmd.31.9.1077openalex-snapshot
GENERATION AND VALIDATION OF RAPID COMPUTATIONAL FILTERS FOR CYP2D6 AND CYP3A4
inferredcites →https://doi.org/10.1126/science.1099736openalex-snapshot
Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
inferredcites →https://doi.org/10.1142/9781860948114openalex-snapshot
Chemogenomics - Knowledge-based Approaches to Drug Discovery
inferredcites →https://doi.org/10.1177/1087057104274091openalex-snapshot
Development of CYP3A4 Inhibition Models: Comparisons of Machine-Learning Techniques and Molecular Descriptors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470431818.ch6openalex-snapshot
Toxicity Pathways and Models: Mining for Potential Side Effects
inferred← citeshttps://doi.org/10.1002/9780470567623.ch6openalex-snapshot
Chemogenomics‐Based Design of GPCR‐Targeted Libraries Using Data Mining Techniques
inferred← citeshttps://doi.org/10.1002/chin.200649224openalex-snapshot
QSAR Modeling of in vitro Inhibition of Cytochrome P450 3A4.
inferred← citeshttps://doi.org/10.1002/jat.4134openalex-snapshot
Anthraquinones inhibit cytochromes P450 enzyme activity in silico and in vitro
inferred← citeshttps://doi.org/10.1002/minf.200900040openalex-snapshot
Forecasting CYP2D6 and CYP3A4 Risk with a Global/Local Fusion Model of CYP450 Inhibition
inferred← citeshttps://doi.org/10.1002/minf.201200004openalex-snapshot
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies
inferred← citeshttps://doi.org/10.1002/minf.201300132openalex-snapshot
Bilinear Model for the Size‐Dependency of the CYP3A4 Inhibitory Activity of Structurally Diverse Compounds
inferred← citeshttps://doi.org/10.1007/978-0-387-77300-1_1openalex-snapshot
Metabolic Concerns in Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-319-16009-2_3openalex-snapshot
Current Approaches for Investigating and Predicting Cytochrome P450 3A4-Ligand Interactions
inferred← citeshttps://doi.org/10.1007/s00204-025-04000-8openalex-snapshot
Application of in silico methods to predict the acute toxicity of bicyclic organophosphorus compounds as potential chemical weapon
inferred← citeshttps://doi.org/10.1007/s10822-008-9176-9openalex-snapshot
Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information
inferred← citeshttps://doi.org/10.1007/s10822-010-9381-1openalex-snapshot
Trainable structure–activity relationship model for virtual screening of CYP3A4 inhibition
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12659-9openalex-snapshot
Molecular Fields to Assess Recognition Forces and Property Spaces☆
inferred← citeshttps://doi.org/10.1016/j.bmcl.2020.127147openalex-snapshot
In silico and in vitro studies on interaction of novel non-imidazole histamine H3R antagonists with CYP3A4
inferred← citeshttps://doi.org/10.1016/j.dmpk.2019.11.006openalex-snapshot
Computational prediction of cytochrome P450 inhibition and induction
inferred← citeshttps://doi.org/10.1016/j.taap.2007.10.022openalex-snapshot
Understanding mechanisms of toxicity: Insights from drug discovery research
inferred← citeshttps://doi.org/10.1016/s1574-1400(07)03005-8openalex-snapshot
Chapter 5 Linear Quantitative Structure–Activity Relationships for the Interaction of Small Molecules with Human Cytochrome P450 Isoenzymes
inferred← citeshttps://doi.org/10.1021/ci200542mopenalex-snapshot
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
inferred← citeshttps://doi.org/10.1021/mp900217xopenalex-snapshot
Classification of Cytochrome P450 Activities Using Machine Learning Methods
inferred← citeshttps://doi.org/10.1021/tx900417fopenalex-snapshot
Integrated in Silico−in Vitro Strategy for Addressing Cytochrome P450 3A4 Time-Dependent Inhibition
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707306openalex-snapshot
In silicopharmacology for drug discovery: applications to targets and beyond
inferred← citeshttps://doi.org/10.1080/17460441.2025.2491669openalex-snapshot
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design
inferred← citeshttps://doi.org/10.1093/toxsci/kfz185openalex-snapshot
Development of a Novel AOP for Cyp2F2-Mediated Lung Cancer in Mice
inferred← citeshttps://doi.org/10.1124/dmd.114.059717openalex-snapshot
Activity-Limiting Role of Molecular Size: Size-Dependency of Maximum Activity for P450 Inhibition as Revealed by qHTS Data
inferred← citeshttps://doi.org/10.1124/jpet.110.168492openalex-snapshot
The Effects of Azole-Based Heme Oxygenase Inhibitors on Rat Cytochromes P450 2E1 and 3A1/2 and Human Cytochromes P450 3A4 and 2D6
inferred← citeshttps://doi.org/10.1155/2015/854015openalex-snapshot
Interactions between CYP3A4 and Dietary Polyphenols
inferred← citeshttps://doi.org/10.1517/17425250903158940openalex-snapshot
QSAR of cytochrome inhibitors
inferred← citeshttps://doi.org/10.1517/17425255.4.5.513openalex-snapshot
Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450
inferred← citeshttps://doi.org/10.1517/17460441.1.7.677openalex-snapshot
Advances in predicting CYP-mediated drug interactions in the drug discovery setting
inferred← citeshttps://doi.org/10.2133/dmpk.dmpk-12-rg-133openalex-snapshot
Three-dimensional Quantitative Structure–Activity Relationship Analysis of Inhibitors of Human and Rat Cytochrome P4503A Enzymes
inferred← citeshttps://doi.org/10.3390/ijms20184468openalex-snapshot
Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors
inferred← citeshttps://doi.org/10.3390/molecules17033383openalex-snapshot
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
inferred← citeshttps://doi.org/10.3390/molecules17033407openalex-snapshot
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
inferred← citeshttps://doi.org/10.3390/molecules17089283openalex-snapshot
Insights on Cytochrome P450 Enzymes and Inhibitors Obtained Through QSAR Studies
inferred← citeshttps://doi.org/10.5451/unibas-005159310openalex-snapshot
Prediction of transport, pharmacokinetics, and effect of drugs
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