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Evidence-based selection of training compounds for use in the mechanism-based integrated prediction of drug-induced liver injury in man

Archives of toxicology, 2016-12, Vol.90 (12), p.2979-3003

2016

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Human multidrug resistance protein 4 (MRP4) is a cellular efflux transporter for paracetamol glutathione and cysteine conjugates

Archives of toxicology, 2020-09, Vol.94 (9), p.3027-3032

2020

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A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.4018-4033

2019

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Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation

PloS one, 2015-11, Vol.10 (11), p.e0142232

2015

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The effect of acetaminophen on ubiquitin homeostasis in Saccharomyces cerevisiae

PloS one, 2017-03, Vol.12 (3), p.e0173573-e0173573

2017

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Application of a cocktail approach to screen cytochrome P450 BM3 libraries for metabolic activity and diversity

Analytical and bioanalytical chemistry, 2016-02, Vol.408 (5), p.1425-1443

2016

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Reduction and Scavenging of Chemically Reactive Drug Metabolites by NAD(P)H:Quinone Oxidoreductase 1 and NRH:Quinone Oxidoreductase 2 and Variability in Hepatic Concentrations

Chemical research in toxicology, 2018-02, Vol.31 (2), p.116-126

2018

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Human NAD(P)H:quinone Oxidoreductase 1 (NQO1)-Mediated Inactivation of Reactive Quinoneimine Metabolites of Diclofenac and Mefenamic Acid

Chemical research in toxicology, 2014-04, Vol.27 (4), p.576-586

2014

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Diclofenac inhibits tumor necrosis factor‐α‐induced nuclear factor‐κB activation causing synergistic hepatocyte apoptosis

Hepatology (Baltimore, Md.), 2011-06, Vol.53 (6), p.2027-2041

2011

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Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques

Drug metabolism and disposition, 2009-03, Vol.37 (3), p.658-664

2009

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Cytochrome P450-Mediated Bioactivation of Mefenamic Acid to Quinoneimine Intermediates and Inactivation by Human Glutathione S‑Transferases

Chemical research in toxicology, 2014-12, Vol.27 (12), p.2071-2081

2014

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Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking

Journal of medicinal chemistry, 2006-04, Vol.49 (8), p.2417-2430

2006

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Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands

Journal of Chemical Information and Modeling, 2009-01, Vol.49 (1), p.43-52

2009

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Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking

Journal of medicinal chemistry, 2005-04, Vol.48 (7), p.2308-2318

2005

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Effect of Human Glutathione S‑Transferases on Glutathione-Dependent Inactivation of Cytochrome P450-Dependent Reactive Intermediates of Diclofenac

Chemical research in toxicology, 2013-11, Vol.26 (11), p.1632-1641

2013

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Mass Spectrometric Characterization of Protein Adducts of Multiple P450-Dependent Reactive Intermediates of Diclofenac to Human Glutathione‑S‑transferase P1‑1

Chemical research in toxicology, 2012-11, Vol.25 (11), p.2532-2541

2012

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Characterization of Human Cytochrome P450s Involved in the Bioactivation of Tri-ortho-cresyl Phosphate (ToCP)

Chemical research in toxicology, 2015-04, Vol.28 (4), p.711-721

2015

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Enzyme-catalyzed activation of anticancer prodrugs

Pharmacological reviews, 2004-03, Vol.56 (1), p.53-102

2004

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Metabolism related toxicity of diclofenac in yeast as model system

Toxicology letters, 2011-02, Vol.200 (3), p.162-168

2011

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Linking cytochrome P450 enzymes from Mycobacterium tuberculosis to their cognate ferredoxin partners

Applied microbiology and biotechnology, 2018-11, Vol.102 (21), p.9231-9242

2018

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Involvement of the Pleiotropic Drug Resistance Response, Protein Kinase C Signaling, and Altered Zinc Homeostasis in Resistance of Saccharomyces cerevisiae to Diclofenac

Applied and Environmental Microbiology, 2011-09, Vol.77 (17), p.5973-5980

2011

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Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

Drug metabolism and disposition, 2010-08, Vol.38 (8), p.1347-1354

2010

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eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

Journal of cheminformatics, 2017-11, Vol.9 (1), p.58-13, Article 58

2017

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Liquid chromatography/tandem mass spectrometry detection of covalent binding of acetaminophen to human serum albumin

Drug metabolism and disposition, 2007-08, Vol.35 (8), p.1408-1417

2007

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Determination and identification of estrogenic compounds generated with biosynthetic enzymes using hyphenated screening assays, high resolution mass spectrometry and off-line NMR

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 2010-03, Vol.878 (7), p.667-674

2010

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Evidence-based selection of training compounds for use in the mechanism-based integrated prediction of drug-induced liver injury in man

Human multidrug resistance protein 4 (MRP4) is a cellular efflux transporter for paracetamol glutathione and cysteine conjugates

A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation

Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation

The effect of acetaminophen on ubiquitin homeostasis in Saccharomyces cerevisiae

Application of a cocktail approach to screen cytochrome P450 BM3 libraries for metabolic activity and diversity

Reduction and Scavenging of Chemically Reactive Drug Metabolites by NAD(P)H:Quinone Oxidoreductase 1 and NRH:Quinone Oxidoreductase 2 and Variability in Hepatic Concentrations

Human NAD(P)H:quinone Oxidoreductase 1 (NQO1)-Mediated Inactivation of Reactive Quinoneimine Metabolites of Diclofenac and Mefenamic Acid

Diclofenac inhibits tumor necrosis factor‐α‐induced nuclear factor‐κB activation causing synergistic hepatocyte apoptosis

Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques

Cytochrome P450-Mediated Bioactivation of Mefenamic Acid to Quinoneimine Intermediates and Inactivation by Human Glutathione S‑Transferases

Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking

Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands

Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking

Effect of Human Glutathione S‑Transferases on Glutathione-Dependent Inactivation of Cytochrome P450-Dependent Reactive Intermediates of Diclofenac

Mass Spectrometric Characterization of Protein Adducts of Multiple P450-Dependent Reactive Intermediates of Diclofenac to Human Glutathione‑S‑transferase P1‑1

Characterization of Human Cytochrome P450s Involved in the Bioactivation of Tri-ortho-cresyl Phosphate (ToCP)

Enzyme-catalyzed activation of anticancer prodrugs

Metabolism related toxicity of diclofenac in yeast as model system

Linking cytochrome P450 enzymes from Mycobacterium tuberculosis to their cognate ferredoxin partners

Involvement of the Pleiotropic Drug Resistance Response, Protein Kinase C Signaling, and Altered Zinc Homeostasis in Resistance of Saccharomyces cerevisiae to Diclofenac

Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

Liquid chromatography/tandem mass spectrometry detection of covalent binding of acetaminophen to human serum albumin

Determination and identification of estrogenic compounds generated with biosynthetic enzymes using hyphenated screening assays, high resolution mass spectrometry and off-line NMR

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