Search Results - "VERMEULEN, Nico P. E"

Evidence-based selection of training compounds for use in the mechanism-based integrated prediction of drug-induced liver injury in man by Dragovic, Sanja, Vermeulen, Nico P. E., Gerets, Helga H., Hewitt, Philip G., Ingelman‐Sundberg, Magnus, Park, B. Kevin, Juhila, Satu, Snoeys, Jan, Weaver, Richard J.

“…The current test systems employed by pharmaceutical industry are poorly predictive for drug-induced liver injury (DILI). The ‘MIP-DILI’ project addresses this…”
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Human multidrug resistance protein 4 (MRP4) is a cellular efflux transporter for paracetamol glutathione and cysteine conjugates by Koenderink, Jan B., van den Heuvel, Jeroen J. M. W., Bilos, Ab, Vredenburg, Galvin, Vermeulen, Nico P. E., Russel, Frans G. M.

“…Paracetamol (acetaminophen, APAP) overdose is a leading cause of acute drug-induced liver failure. APAP hepatotoxicity is mediated by the reactive metabolite…”
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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 by den Braver-Sewradj, Shalenie P, den Braver, Michiel W, Toorneman, Robin M, van Leeuwen, Stephanie, Zhang, Yongjie, Dekker, Stefan J, Vermeulen, Nico P. E, Commandeur, Jan N. M, Vos, J. Chris

“…Detoxicating enzymes NAD­(P)­H:quinone oxidoreductase 1 (NQO1) and NRH:quinone oxidoreductase 2 (NQO2) catalyze the two-electron reduction of quinone-like…”
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Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation by Capoferri, Luigi, Verkade-Vreeker, Marlies C A, Buitenhuis, Danny, Commandeur, Jan N M, Pastor, Manuel, Vermeulen, Nico P E, Geerke, Daan P

“…Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substrates and inhibitors, represents an important task for predicting…”
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Classification of Cytochrome P450 1A2 Inhibitors and Noninhibitors by Machine Learning Techniques by VASANTHANATHAN, Poongavanam, TABOUREAU, Olivier, OOSTENBRINK, Chris, VERMEULEN, Nico P. E, OLSEN, Lars, JORGENSEN, Flemming Steen

“…The cytochrome P450 (P450) superfamily plays an important role in the metabolism of drug compounds, and it is therefore highly desirable to have models that…”
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The effect of acetaminophen on ubiquitin homeostasis in Saccharomyces cerevisiae by Huseinovic, Angelina, van Leeuwen, Jolanda S, van Welsem, Tibor, Stulemeijer, Iris, van Leeuwen, Fred, Vermeulen, Nico P E, Kooter, Jan M, Vos, J Chris

“…Acetaminophen (APAP), although considered a safe drug, is one of the major causes of acute liver failure by overdose, and therapeutic chronic use can cause…”
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Application of a cocktail approach to screen cytochrome P450 BM3 libraries for metabolic activity and diversity by Reinen, Jelle, Postma, Geert, Tump, Cornelis, Bloemberg, Tom, Engel, Jasper, Vermeulen, Nico P. E, Commandeur, Jan N. M, Honing, Maarten

“…In the present study, the validity of using a cocktail screening method in combination with a chemometrical data mining approach to evaluate metabolic activity…”
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Human NAD(P)H:quinone Oxidoreductase 1 (NQO1)-Mediated Inactivation of Reactive Quinoneimine Metabolites of Diclofenac and Mefenamic Acid by Vredenburg, Galvin, Elias, Naura S, Venkataraman, Harini, Hendriks, Delilah F. G, Vermeulen, Nico P. E, Commandeur, Jan N. M, Vos, J. Chris

“…NAD(P)H:quinone oxidoreductase 1 (NQO1) is an enzyme capable of reducing a broad range of chemically reactive quinones and quinoneimines (QIs) and can be…”
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Diclofenac inhibits tumor necrosis factor‐α‐induced nuclear factor‐κB activation causing synergistic hepatocyte apoptosis by Fredriksson, Lisa, Herpers, Bram, Benedetti, Giulia, Matadin, Quraisha, Puigvert, Jordi C., de Bont, Hans, Dragovic, Sanja, Vermeulen, Nico P.E., Commandeur, Jan N.M., Danen, Erik, de Graauw, Marjo, van de Water, Bob

“…Drug‐induced liver injury (DILI) is an important clinical problem. It involves crosstalk between drug toxicity and the immune system, but the exact mechanism…”
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Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking by de Graaf, Chris, Oostenbrink, Chris, Keizers, Peter H. J., van der Wijst, Tushar, Jongejan, Aldo, Vermeulen, Nico P. E.

“…Automated docking strategies successfully applied to binding mode predictions of ligands in Cyt P450 crystal structures in an earlier study (de Graaf et al. J…”
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Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands by Vasanthanathan, Poongavanam, Hritz, Jozef, Taboureau, Olivier, Olsen, Lars, Steen Jørgensen, Flemming, Vermeulen, Nico P. E, Oostenbrink, Chris

“…With the availability of an increasing number of high resolution 3D structures of human cytochrome P450 enzymes, structure-based modeling tools are more…”
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A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation by Rifai, Eko Aditya, van Dijk, Marc, Vermeulen, Nico P. E, Yanuar, Arry, Geerke, Daan P

“…Binding free energy (ΔG bind ) computation can play an important role in prioritizing compounds to be evaluated experimentally on their affinity for target…”
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Cytochrome P450-Mediated Bioactivation of Mefenamic Acid to Quinoneimine Intermediates and Inactivation by Human Glutathione S‑Transferases by Venkataraman, Harini, den Braver, Michiel W, Vermeulen, Nico P. E, Commandeur, Jan N. M

“…Mefenamic acid (MFA) has been associated with rare but severe cases of hepatotoxicity, nephrotoxicity, gastrointestinal toxicity, and hypersensitivity…”
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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 by de Graaf, Chris, Pospisil, Pavel, Pos, Wouter, Folkers, Gerd, Vermeulen, Nico P. E

“…The popular docking programs AutoDock, FlexX, and GOLD were used to predict binding modes of ligands in crystallographic complexes including X-ray water…”
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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 by Boerma, Jan Simon, Dragovic, Sanja, Vermeulen, Nico P. E, Commandeur, Jan N. M

“…Use of the nonsteroidal anti-inflammatory drug diclofenac (DF) is associated with serious idiosyncratic hepatotoxicity. Covalent binding of reactive…”
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Effect of Human Glutathione S‑Transferases on Glutathione-Dependent Inactivation of Cytochrome P450-Dependent Reactive Intermediates of Diclofenac by Dragovic, Sanja, Boerma, Jan Simon, Vermeulen, Nico P. E, Commandeur, Jan N. M

“…Idiosyncratic adverse drug reactions due to the anti-inflammatory drug diclofenac have been proposed to be caused by the generation of reactive acyl…”
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Characterization of Human Cytochrome P450s Involved in the Bioactivation of Tri-ortho-cresyl Phosphate (ToCP) by Reinen, Jelle, Nematollahi, Leyla, Fidder, Alex, Vermeulen, Nico P. E, Noort, Daan, Commandeur, Jan N. M

“…Tri-ortho-cresyl phosphate (ToCP) is a multipurpose organophosphorus compound that is neurotoxic and suspected to be involved in aerotoxic syndrome in humans…”
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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 by VAN LEEUWEN, Jolanda S, VERMEULEN, Nico P. E, VOS, J. Chris

“…Classifications Services AEM Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
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Computational Prediction of Binding Affinity for CYP1A2-Ligand Complexes Using Empirical Free Energy Calculations by VASANTHANATHAN, Poongavanam, OLSEN, Lars, STEEN JORGENSEN, Flemming, VERMEULEN, Nico P. E, OOSTENBRINK, Chris

“…Predicting binding affinities for receptor-ligand complexes is still one of the challenging processes in computational structure-based ligand design. Many…”
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Liquid Chromatography/Tandem Mass Spectrometry Detection of Covalent Binding of Acetaminophen to Human Serum Albumin by DAMSTEN, Micaela C, COMMANDEUR, Jan N. M, FIDDER, Alex, HULST, Albert G, TOUW, Daan, NOORT, Daan, VERMEULEN, Nico P. E

“…Covalent binding of reactive electrophilic intermediates to proteins is considered to play an important role in the processes leading to adverse drug reactions…”
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