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Author

  • Nico P.E. Vermeulen
2011

Active site substitution A82W improves regioselectivity of steroid hydroxylation by cytochrome P450 BM3 mutants as rationalised by spin relaxation NMR studies

Rea, V., Kolkman, ER., Vottero, E. R., Stronks, E. J., Ampt, K. A., Honing, M., Vermeulen, N. P. E., Wijmenga, S. S. & Commandeur, J. N. M., 2011, (Accepted/In press) In : The Biochemist.

Research output: Contribution to JournalArticle

Application of cytochrome P450 BM3 mutants as biocatalysts for the profiling of estrogen receptor binding metabolites of the mycotoxin zearalenone

Reinen, J., Kalma, L., Begheijn, S., Heus, F. A. H., Commandeur, J. N. M. & Vermeulen, N. P. E., 2011, In : Xenobiotica. 41, 1, p. 59-70 11 p.

Research output: Contribution to JournalArticle

Conventional and novel approaches in generating and characterization of reactive intermediates from drugs/drug candidates

Orhan, H. & Vermeulen, N. P. E., May 2011, In : Current Drug Metabolism. 12, 4, p. 383-394 12 p.

Research output: Contribution to JournalReview article

Diclofenac inhibits tumor necrosis factor-a-induced nuclear factor-kB activation causing synergic hepatocyte apoptosis

Frederiksson, L., Herpers, B., Benedetti, G., Matadin, Q., Puigvert, J. C., de Bont, H., Dragovic, S., Vermeulen, N. P. E., Commandeur, J. N. M., Danen, E., de Graauw, M. & van de Water, B., 2011, In : Hepatology. 53, 6, p. 383-394 10 p.

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

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

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

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

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 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

2012

Active Site Substitution A82W Improves the Regioselectivity of Steroid Hydroxylation by Cytochrome P450 BM3 Mutants As Rationalized by Spin Relaxation Nuclear Magnetic Resonance Studies

Rea, V., Kolkman, A. J., Vottero, E. R., Stronks, E. J., Ampt, K. A., Honing, M., Vermeulen, N. P. E., Wijmenga, S. S. & Commandeur, J. N. M., 2012, In : Biochemistry. 51, 3, p. 750-760

Research output: Contribution to JournalArticle

A single active site mutation inverts stereoselectivity of 16-hydroxylation of testosterone catalyzed by engineered cytochrome P450 BM3.

Venkataraman, H., de Beer, SB., Bergen, LA., van Essen, N., Geerke, D. P., Vermeulen, N. P. E. & Commandeur, J. N. M., 2012, In : ChemBioChem. 13, 4, p. 520-523

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

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

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

2013

Characterisation of Human Cytochrome P450s Involved in the Bioactivation of Clozapine

Dragovic, S., Gunness, P., Ingelman-Sundberg, M., Vermeulen, N. P. E. & Commandeur, J. N. M., 2013, In : Drug Metabolism and Disposition. 41, 3, p. 651-658

Research output: Contribution to JournalArticle

2014

Application of engineered cytochrome P450 mutants as biocatalysts for the synthesis of benzylic and aromatic metabolites of fenamic acid NSAIDs

Venkataraman, H., Verkade-Vreeker, M. C. A., Capoferri, L., Geerke, D. P., Vermeulen, N. P. E. & Commandeur, J. N. M., 15 Oct 2014, In : Bioorganic and Medicinal Chemistry. 22, 20, p. 5613-5620

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

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
2015

Activation of the anticancer drugs cyclophosphamide and ifosfamide by cytochrome P450 BM3 mutants

Vredenburg, G., den Braver-Sewradj, S., van Vugt-Lussenburg, B. M. A., Vermeulen, N. P. E., Commandeur, J. N. M. & Vos, J. C., 5 Jan 2015, In : Toxicology Letters. 232, 1, p. 182-92 11 p.

Research output: Contribution to JournalArticle

Biosynthesis of a steroid metabolite by an engineered Rhodococcus erythropolis strain expressing a mutant cytochrome P450 BM3 enzyme

Venkataraman, H., te Poele, E. M., Rosłoniec, K. Z., Vermeulen, N., Commandeur, J. N. M., van der Geize, R. & Dijkhuizen, L., 18 Jun 2015, In : Applied Microbiology and Biotechnology. 99, 11, p. 4713-4721 9 p.

Research output: Contribution to JournalArticle

Characterization of human cytochrome P450s involved in the bioactivation of tri-Ortho-Cresyl phosphate (ToCP)

Reinen, J., Nematollahi, L., Fidder, A., Vermeulen, N. P. E., Noort, D. & Commandeur, J. N. M., 20 Apr 2015, In : Chemical Research in Toxicology. 28, 4, p. 711-721 11 p.

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

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

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

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

2016

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

Reinen, J. R., Postma, G., Tump, C., Bloemberg, T., Engel, J., Vermeulen, N. P. E., Commandeur, J. N. M. & Honing, M., 2016, In : Analytical and Bioanalytical Chemistry. 408, 5, p. 1425-1443 19 p.

Research output: Contribution to JournalArticle

Open Access

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