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  • Nico P.E. Vermeulen

Yeast as a humanized model organism for biotransformation-related toxicity

van Leeuwen, J. S., Vermeulen, N. P. E. & Vos, J. C., 2012, In : Current Drug Metabolism. 13, 10, p. 1464-1475

Research output: Contribution to JournalArticle

Towards automated binding affinity prediction using an iterative linear interaction energy approach

Vosmeer, C. R., Pool, R., van Stee, M. F., Peric-Hassler, L., Vermeulen, N. P. E. & Geerke, D. P., 2014, In : International Journal of Molecular Sciences. 15, 1, p. 798-816 19 p.

Research output: Contribution to JournalArticle

Open Access

The role of water molecules in computational Drug Design

de Beer, S., Vermeulen, N. P. E. & Oostenbrink, B. C., 2010, In : Current Topics in Microbiology and Immunology. 10, p. 55-66

Research output: Contribution to JournalArticle

The effect of acetaminophen on ubiquitin homeostasis in Saccharomyces cerevisiae

Huseinovic, A., van Leeuwen, J., van Welsem, T., Stulemeijer, I., van Leeuwen, F., Vermeulen, N. P. E., Kooter, J. M. & Vos, J. C., 14 Mar 2017, In : PLoS ONE. 12, 3, p. 1-19 19 p., e0173573.

Research output: Contribution to JournalArticle

Open Access

Subunits Rip1 and Cox9p of the respiratory chain contribute to diclofenac-induced mitochondrial dysfunction

van Leeuwen, J. S., Orij, R., Luttik, M. A., Smits, G. J., Vermeulen, N. P. E. & Vos, J. C., 2010, In : Microbiology. dec 9

Research output: Contribution to JournalArticle

Role of residue 87 in the activity and regioselectivity of clozapine metabolism by drug-metabolizing CYP102A1 M11H: application for structural characterization of clozapine GSH conjugates

Rea, V., Dragovic, S., Boerma, J. S., de Kanter, F. J. J., Vermeulen, N. P. E. & Commandeur, J. N. M., 2011, (Accepted/In press) In : Drug Metabolism and Disposition. p. 39(12): 2411-20. doi: 10.1124/dmd.111.041046.

Research output: Contribution to JournalArticle

Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11

Vottero, E. R., Rea, V., Lastdrager, J., Honing, M., Vermeulen, N. P. E. & Commandeur, J. N. M., 2011, In : Journal of Biological Inorganic Chemistry - JBIC. 16, 6, p. 899-912 13 p.

Research output: Contribution to JournalArticle

Open Access

Role of Human Glutathione S-Transferases on the Inactivation of Reactive Drug METABOLITES of Clozapine

Dragovic, S., Boerma, J. S., van Bergen, L., Vermeulen, N. P. E. & Commandeur, J. N. M., Aug 2010, In : Drug Metabolism Reviews. 42, p. 67-67

Research output: Contribution to JournalArticle

Role of human glutathione S-transferases in the inactivation of reactive metabolites of clozapine.

Dragovic, S., Boerma, J. S., van Bergen, L., Vermeulen, N. P. E. & Commandeur, J. N. M., 2010, In : Chemical Research in Toxicology. 23, 9, p. 1467-1476

Research output: Contribution to JournalArticle

Response to "The path forward on endocrine disruptors requires focus"

Autrup, H., Barile, F. A., Blaauboer, B. J., Degen, G. H., Dekant, W., Dietrich, D., Domingo, J. L., Gori, G. B., Greim, H., Hengstler, J. G., Kacew, S., Marquardt, H., Pelkonen, O., Savolainen, K. & Vermeulen, N. P., Feb 2016, In : Toxicological Sciences. 149, 2, p. 273-274 2 p.

Research output: Contribution to JournalArticle

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

den Braver-Sewradj, S. P., den Braver, M. W., Toorneman, R. M., Van Leeuwen, S., Zhang, Y., Dekker, S. J., Vermeulen, N. P. E., Commandeur, J. N. M. & Vos, J. C., 19 Feb 2018, In : Chemical Research in Toxicology. 31, 2, p. 116-126 11 p.

Research output: Contribution to JournalArticle

Open Access

Principles of pharmacology and toxicology also govern effects of chemicals on the endocrine system

Autrup, H., Barile, F. A., Blaauboer, B. J., Degen, G. H., Dekant, W., Dietrich, D., Domingo, J. L., Gori, G. B., Greim, H., Hengstler, J. G., Kacew, S., Marquardt, H., Pelkonen, O., Savolainen, K. & Vermeulen, N. P., 1 Jul 2015, In : Toxicological Sciences. 146, 1, p. 11-15 5 p., kfv082.

Research output: Contribution to JournalArticle

Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase

de Beer, S. B. A., Glättli, A., Hutzler, J., Vermeulen, N. P. E. & Oostenbrink, B. C., 2011, In : Journal of Computational Chemistry.

Research output: Contribution to JournalArticle

Metabolism related toxicity of diclofenac in yeast as model system

van Leeuwen, J. S., Vredenburg, G., Dragovic, S., Tjong, T. F., Vos, J. C. & Vermeulen, N. P. E., 2010, In : Toxicology Letters. nov 24, p. 200(3): 162-8 doi: 10.1016/j.toxlet.2010.11.010.

Research output: Contribution to JournalArticle

Mass spectrometric identification of isocyanate-induced modifications of keratins in human skin

Hulst, A. G., Verstappen, D. R. W., Van Der Riet - Van Oeveren, D., Vermeulen, N. P. E. & Noort, D., 22 Jun 2015, In : Chemico-Biological Interactions. 237, p. 141-150 10 p.

Research output: Contribution to JournalArticle

Managing the challenge of chemically reactive metabolites in drug development

Park, B. K., Boobis, A., Clarke, S., Goldring, C. E. P., Jones, D. T., Kenna, J. G., Lambert, C., Laverty, H. G., Naisbitt, D. J., Nelson, S., Nicoll-Griffith, D. A., Obach, R. S., Routledge, P., Smith, D. A., Tweedie, D. J., Vermeulen, N., Williams, D. P., Wilson, I. D. & Baillie, T. A., Apr 2011, In : Nature Reviews Drug Discovery. 10, 4, p. 292-306 15 p.

Research output: Contribution to JournalReview article

Malleability and versatility of Cytochrome P450 active sites studied by molecular simulations

Oostenbrink, B. C., de Ruiter, A., Hritz, J. & Vermeulen, N. P. E., 2012, In : Current Drug Metabolism. 13, 2, p. 190-196

Research output: Contribution to JournalArticle

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

Ortega Ugalde, S., de Koning, C. P., Wallraven, K., Bruyneel, B., Vermeulen, N. P. E., Grossmann, T. N., Bitter, W., Commandeur, J. N. M. & Vos, J. C., Nov 2018, In : Applied Microbiology and Biotechnology. 102, 21, p. 9231-9242 12 p.

Research output: Contribution to JournalArticle

Open Access

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

Capoferri, L., Verkade-Vreeker, M. C. A., Buitenhuis, D., Commandeur, J. N. M., Pastor, M., Vermeulen, N. P. E. & Geerke, D. P., 9 Nov 2015, In : PLoS ONE. 10, 11

Research output: Contribution to JournalArticle

Open Access

Legacy data sharing to improve drug safety assessment: the eTOX project

Sanz, F., Pognan, F., Steger-Hartmann, T., Díaz, C., Cases, M., Pastor, M., Marc, P., Wichard, J., Briggs, K., Watson, D. K., Kleinöder, T., Yang, C., Amberg, A., Beaumont, M., Brookes, A. J., Brunak, S., Cronin, M. T. D., Ecker, G. F., Escher, S., Greene, N. & 17 others, Guzmán, A., Hersey, A., Jacques, P., Lammens, L., Mestres, J., Muster, W., Northeved, H., Pinches, M., Saiz, J., Sajot, N., Valencia, A., van der Lei, J., Vermeulen, N. P. E., Vock, E., Wolber, G., Zamora, I. & eTOX, Dec 2017, In : Nature Reviews Drug Discovery. 16, 12, p. 811-812 2 p.

Research output: Contribution to JournalArticle

Inter-individual variability in activity of the major drug metabolizing enzymes in liver homogenates of 20 Individuals

den Braver-Sewradj, S. P., den Braver, M. W., van Dijk, M., Zhang, Y., Dekker, S. J., Wijaya, L., Vermeulen, N. P. E., Richert, L., Commandeur, J. N. M. & Vos, J. C., 2018, In : Current Drug Metabolism. 19, 4, p. 370-381 12 p.

Research output: Contribution to JournalArticle

Interactions of organophosphates with keratins in the cornified epithelium of human skin

Verstappen, D. R. W., Hulst, A. G., Fidder, A., Vermeulen, N. P. E. & Noort, D., 2012, In : Chemico-Biological Interactions. 197, 2-3, p. 93-102

Research output: Contribution to JournalArticle

Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project

Sanz, F., Carrio, P., Lopez, O., Capoferri, L., Kooi, D. P., Vermeulen, N. P. E., Geerke, D. P., Montanari, F., Ecker, G. F., Schwab, C. H., Kleinoeder, T., Magdziarz, T. & Pastor, M., Jun 2015, In : Molecular Informatics. 34, 6-7, p. 477-484

Research output: Contribution to JournalArticle

Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.

Capoferri, L., Leth, R., ter Haar, E., Mohanty, A. K., Grootenhuis, P. D. J., Vottero, E. R., Commandeur, J. N. M., Vermeulen, N. P. E., Jorgensen, F. S., Olsen, L. & Geerke, D. P., 2016, In : Proteins. 84, 3, p. 383-396

Research output: Contribution to JournalArticle

Open Access

Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening

Vasanthanathan, P., Lastdrager, J., Oostenbrink, C., Commandeur, J. N. M., Vermeulen, N. P. E., Jorgensen, F. S. & Olsen, L., Sep 2011, In : MedChemComm. 2, 9, p. 853-859

Research output: Contribution to JournalArticle

Human NAD(P)H:quinone oxidoreductase 1 (NQO1)-mediated inactivation of reactive quinoneimine metabolites of diclofenac and mefenamic acid

Vredenburg, G., Elias, N. S., Venkataraman, H., Hendriks, D. F. G., Vermeulen, N. P. E., Commandeur, J. N. M. & Vos, J. C., 21 Apr 2014, In : Chemical Research in Toxicology. 27, 4, p. 576-86 11 p.

Research output: Contribution to JournalArticle

Glutathione S-transferase P1 protects against Amodiaquine Quinoneimines-induced cytotoxicity but does not prevent activation of endoplasmic reticulum stress in HepG2 cells

Zhang, Y., den Braver-Sewradj, S. P., den Braver, M. W., Hiemstra, S., Vermeulen, N. P. E., van de Water, B., Commandeur, J. N. M. & Vos, J. C., 18 Apr 2018, In : Frontiers in Pharmacology. 9, APRIL, p. 1-13 13 p., 388.

Research output: Contribution to JournalArticle

Open Access

Functional characterization of eight human cytochrome P450 1A2 gene variants by recombinant protein expression

Brito Palma, B., Silva e Sousa, M., Vosmeer, C. R., Lastdrager, J., Rueff, J., Vermeulen, N. P. E. & Kranendonk, M., 2010, In : Pharmacogenomics Journal. p. 1-11 10 p.

Research output: Contribution to JournalArticle

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

Dragovic, S., Vermeulen, N. P. E., Gerets, H. H., Hewitt, P. G., Ingelman-Sundberg, M., Park, B. K., Juhila, S., Snoeys, J. & Weaver, R. J., 2016, In : Archives of Toxicology. 90, 12, p. 2979-3003

Research output: Contribution to JournalArticle

Open Access

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

Capoferri, C. L., van Dijk, M., Rustenburg, A. S., Wassenaar, T., Kooi, D. P., Rifai, E. A., Vermeulen, N. P. E. & Geerke, D. P., 2017, In : Journal of Cheminformatics. 9, 58, p. 1-13 13 p., 58.

Research output: Contribution to JournalArticle

Open Access
Open Access

Endocrine disrupting chemicals-linking internal exposure to vitellogenin levels and ovotestis in Abramis brama from Dutch surface waters

Reinen, J., Suter, M. J. F., Vogeli, A. C., Fernandez, M. F., Kiviranta, H., Eggen, R. I. L. & Vermeulen, N. P. E., 2010, In : Environmental Toxicology and Pharmacology. 30, p. 209-223

Research output: Contribution to JournalArticle

Efficient screening of cytochrome P450 BM3 mutants for their metabolic activity and diversity toward a wide set of drug-like molecules in chemical space

Reinen, J., van Leeuwen, J. S., Li, Y., Sun, L., Grootenhuis, P. D. J., Decker, C. J., Saunders, J., Vermeulen, N. P. E. & Commandeur, J. N. M., 2011, (Accepted/In press) In : Drug Metabolism and Disposition.

Research output: Contribution to JournalArticle