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  • R. Leurs
2011

Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors

Akdemir, A., Rucktooa, P., Jongejan, A., van Elk, R., Bertrand, S., Sixma, T. K., Bertrand, D., Smit, A. B., Leurs, R., de Graaf, C. & de Esch, I. J. P., 2011, In : Bioorganic and Medicinal Chemistry. 19, 20, p. 6107-6119

Research output: Contribution to JournalArticleAcademicpeer-review

Brain P450 epoxygenase activity is required for the antinociceptive effects of improgan, a nonopioid analgesic

Hough, L. B., Nalwalk, J. W., Yang, J., Conroy, J. L., VanAlstine, M. A., Yang, W., Gargano, J., Shan, Z., Zhang, S. Z., Wentland, M. P., Phillips, J. G., Knapp, B. I., Bidlack, J. M., Zuiderveld, O. P., Leurs, R. & Ding, X., 2011, In : Pain. 152, p. 878

Research output: Contribution to JournalArticleAcademicpeer-review

Crystal structure-based virtual screening for novel fragment-like ligands of the human histamine H1 receptor

de Graaf, C., Kooistra, A. J., Vischer, H. F., Katritch, V., Kuijer, M., Shiroishi, M., Shimamura, T., Iwata, S., Stevens, R. C., de Esch, I. J. P. & Leurs, R., 2011, In : Journal of Medicinal Chemistry. 54, p. 8195-81206 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

CXCR3 antagonists: quaternary ammonium salts equipped with biphenyl- and polycycloaliphatic-anchors

Wijtmans, M., Verzijl, D., Bergmans, S., Lai, M., Bosch, L., Smit, M. J., de Esch, I. J. P. & Leurs, R., 2011, In : Bioorganic and Medicinal Chemistry. 19, 11, p. 3384-3393

Research output: Contribution to JournalArticleAcademicpeer-review

En route to new blockbuster antihistamines:surveying the offspring of the expanding histamine receptor family

Leurs, R., Vischer, H. F., Wijtmans, M. & De Esch, I. J., 2011, In : Trends in Pharmacological Sciences. 32, p. 250

Research output: Contribution to JournalArticleAcademicpeer-review

Fragment-based lead discovery of small molecule inhibitors for the EPHA4 receptor tyrosine kinase

van Linden, O. P. J., Farenc, C., Zoutman, W. H., Hameetman, L., Wijtmans, M., Leurs, R., Tensen, C. P., Siegal, G. & de Esch, I. J. P., 2011, In : European Journal of Medicinal Chemistry. 47, p. 493-500

Research output: Contribution to JournalArticleAcademicpeer-review

Fragment growing induces conformational changes in acetylcholine-binding protein: a structural and thermodynamic analysis

Edink, E. S., Rucktooa, P., Retra, K., Akdemir, A., Nahar, T. T., Zuiderveld, O. P., van Elk, R., Janssen, E., van Nierop, P., van Muijlwijk-Koezen, J. E., Smit, A. B., Sixma, T. K., Leurs, R. & de Esch, I. J. P., 15 Feb 2011, In : Journal of the American Chemical Society. 133, 14, p. 5363-5371 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

fragment library screening reveals remarkable similarities between histamine H4 receptors and serotonin 5-HT3 receptors

Verheij, M. H. P., de Graaf, C., de Kloe, G. E., Nijmeijer, S., Vischer, H. F., Smits, R. A., Zuiderveld, O. P., Thompson, A. J., van Muijlwijk- Koezen, J. E., Lummis, S. C. R., Leurs, R. & De Esch, I. J., 2011, In : Bioorganic and Medicinal Chemistry Letters.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access

Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H4 and the ion channel serotonin 5-HT3A

Verheij, M. H. P., de Graaf, C., de Kloe, G. E., Nijmeijer, S., Vischer, H. F., Smits, R. A., Zuiderveld, O. P., Hulscher, T. M., Silvestri, A., Thompson, A. J., van Muijlwijk-Koezen, J. E., Lumnis, S. C. R., Leurs, R. & de Esch, I. J. P., 2011, In : Bioorganic and Medicinal Chemistry Letters. 21, p. 5460-5464

Research output: Contribution to JournalArticleAcademicpeer-review

G-protein-coupled receptors: walking hand-in-hand, talking hand-in-hand?

Vischer, H. F., Watts, A. O., Nijmeijer, S. & Leurs, R., 2011, In : British Journal of Pharmacology. p. 163-246

Research output: Contribution to JournalArticleAcademicpeer-review

Identification of a novel allosteric binding site in the CXCR2 chemokine receptor

de Kruijf, P., Lim, H. D., Roumen, L., Renjaan, V. A., Zhao, J., Webb, M. J., Auld, D. A., Wijkmans, J. C. H. M., Zaman, G. J. R., Smit, M. J., de Graaf, C. & Leurs, R., 2011, In : Molecular Pharmacology. 80, p. 1108-1118 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

In Silico Veritas: The Pitfalls and Challenges of Predicting

Roumen, L., Sanders, M. P. A., Vroling, B., de Esch, I. J. P., de Vlieg, J., Leurs, R., Klomp, J. P. G., Nabuurs, S. B. & de Graaf, C., 2011, In : Pharmaceuticals. 4, p. 1196-1215 20 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File

Molecular determinants of agonist-induced signalling of the sphingosine-1-phosphate type 1 (S1P1) receptor.

de Graaf, C., van Loenen, P. B., Verzijl, D., Leurs, R., Rognan, D., Peters, S. L. M. & Alewijnse, A. E., 2011, In : European Journal of Pharmacology.

Research output: Contribution to JournalArticleAcademicpeer-review

Molecular determinants of ligand binding modes in the histamine H4 receptor: Linking ligand-based 3D-QSAR models to in silico guided receptor mutagenesis studies

Istyastono, E. P., Nijmeijer, S., Lim, H. D., van de Stolpe, A., Roumen, L., Kooistra, A. J., Vischer, H. F., de Esch, I. J. P., Leurs, R. & de Graaf, C., 2011, In : Journal of Medicinal Chemistry. 54, p. 8136-8147 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Molecular determinants of selective agonist and antagonist binding to the histamine H4 receptor

Istyastono, E. P., de Graaf, C., De Esch, I. J. & Leurs, R., 2011, In : Current Topics in Medicinal Chemistry. 11, p. 661

Research output: Contribution to JournalArticleAcademicpeer-review

Nanofractionation Spotter Technology for Rapid Contact less and High-Resolution Deposition of LC Eluent for Further Off-Line Analysis

Kool, J., de Kloe, G. E., Denker, A. D., van Altena, K., Smoluch, M. T., van Iperen, D., Nahar, T. T., Limburg, R. J., Niessen, W. M. A., Lingeman, H., Leurs, R., de Esch, I. J. P., Smit, A. B. & Irth, H., 2011, In : Analytical Chemistry. 83, 1, p. 125-132

Research output: Contribution to JournalArticleAcademicpeer-review

Pharmacological Characterisation of a Small-Molecule Agonist for the Chemokine Receptor CXCR3

Scholten, D. J., Canals, M., Wijtmans, M., de Munnik, S. M., Nguyen, D., Verzijl, D., de Esch, I. J. P., Vischer, H. F., Smit, M. J. & Leurs, R., 2011, In : British Journal of Pharmacology. 166, 3, p. 898-911

Research output: Contribution to JournalArticleAcademicpeer-review

Quantitative expression profiling of G-protein-coupled receptors (GPCRs) in metastatic melanoma: the constitutively active orphan GPCR GPR18 as novel drug target

Qin, Y., Verdegaal, E. M. E., Siderius, M., Bebelman, J. P., Smit, M. J., Leurs, R., Willemze, R., Tensen, C. P. & Osanto, S., 2011, In : Pigment Cell & Melanoma Research. 24, 1, p. 207-218

Research output: Contribution to JournalArticleAcademicpeer-review

Selective histamine H(3) and H(4) receptor agonists expert opposite effects against the gastric lesions induced by HCI in the rat stomach

Coruzzi, G., Adami, M., Pozzoli, C., de Esch, I. J. P., Smits, R. A. & Leurs, R., 2011, In : European Journal of Pharmacology. 2011, 669, p. 121-127 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Several down, a few to go: histamine H3 receptor ligands making the final push towards the market?

Kuhne, S., Wijtmans, M., Lim, H. D., Leurs, R. & de Esch, I. J. P., 2011, In : Expert Opinion on Investigational Drugs. 20, p. 1629-1648 19 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment

Kufareva, I., Rueda, M., Katritch, V., Roumen, L., de Esch, I. J. P., Leurs, R., de Graaf, C., Stevens, R. C. & Abagyan, R., 2011, In : Structure. 19, p. 1108-1126 18 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access

Structure-based design, synthesis and structure-activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholinebinding protein

Edink, E. S. E., Akdemir, A., Jansen, C. J. W., van Elk, R., Zuiderveld, O. P., de Kanter, F. J. J., van Muijlwijk-Koezen, J. E., Smit, A. B., Leurs, R. & de Esch, I. J. P., 2011, In : Bioorganic and Medicinal Chemistry Letters. 22, p. 1448-1454

Research output: Contribution to JournalArticleAcademicpeer-review

Triazole ligands reveal distinct molecular features that induce H4R affinity and subtly govern H4R/H3R selectivity

Wijtmans, M., de Graaf, C., de Kloe, G. E., Istyastono, E. P., Boonnak, R., Jongejan, A., Zuiderveld, O. P., De Esch, I. J. & Leurs, R., 2011, In : Journal of Medicinal Chemistry. 54, p. 1693

Research output: Contribution to JournalArticleAcademicpeer-review

2012

A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compounds

Schultes, S., de Graaf, C., Berger, H., Mayer, M., Steffen, A., Haaksma, E. J. J., de Esch, I. J. P., Leurs, R. & Krämer, O., 2012, In : MedChemComm. 3, p. 584-591

Research output: Contribution to JournalArticleAcademicpeer-review

Analysis of Multiple Histamine H4 Receptor Compound Classes Uncovers Gαi Protein- and β-Arrestin2-Biased Ligands

Nijmeijer, S., Vischer, H. F., Rosethorne, E. M., Charlton, S. J. & Leurs, R., 2012, In : Molecular Pharmacology. 82, 6, p. 1174-1182

Research output: Contribution to JournalArticleAcademicpeer-review

Approaches targeting K(V)10.1 open a novel window for cancer diagnosis and therapy

Pardo, L. A., Gómez-Varela, D., Major, F., Sansuk, K., Leurs, R., Downie, B. R., Tietze, L. F. & Stühmer, W., 2012, In : Current Medicinal Chemistry. 19, 5, p. 675-682

Research output: Contribution to JournalArticleAcademicpeer-review

A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

Sanders, M. P. A., Roumen, L., van der Horst, E., Lane, J. R., Vischer, H. F., van Offenbeek, J., de Vries, H., Verhoeven, S., Show, K. Y., Verkaar, F., Beukers, M. W., McGuire, R., Leurs, R., IJzerman, A. P., de Vlieg, J., de Esch, I. J. P., Zaman, G. J., Klomp, J. P. G., Bender, A. & de Graaf, C., 2012, In : Journal of Medicinal Chemistry. 8, p. 455-464

Research output: Contribution to JournalArticleAcademicpeer-review

Biochemical and pharmacological characterization of the histamine H4 receptor

Nijmeijer, S., de Graaf, C., Leurs, R. & Vischer, H. F., 2012, In : Frontiers in Bioscience. 17, p. 2089-2106

Research output: Contribution to JournalArticleAcademicpeer-review

C(X)CR in silico: Computer-aided prediction of chemokine receptor-ligand interactions

Roumen, L., Scholten, D. J., de Kruijf, P., de Esch, I. J. P., Leurs, R. & de Graaf, C., 2012, In : Drug Discovery Today. 9, p. e281-e291

Research output: Contribution to JournalArticleAcademicpeer-review

Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase b1

Orrling, K. M., Jansen, C. J. W., Vu, X. L., Balmer, V., Bregy, P., Shanmugham, A., England, P., Bailey, D., Cos, P., Maes, L., Adams, E., van den Bogaart, E., Chatelain, E., Ioset, J. R., van de Stolpe, A., Zorg, S., Veerman, J., Seebeck, T., Sterk, G. J., de Esch, I. J. P. & 1 others, Leurs, R., 2012, In : Journal of Medicinal Chemistry. 55, p. 8745-8756

Research output: Contribution to JournalArticleAcademicpeer-review

Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 bisaryl-type ligands

Wijtmans, M., Scholten, D. J., Roumen, L., Canals, M., Custers, H., Glas, M., Vreeker, M., de Graaf, C., Smit, M. J., de Esch, I. J. P. & Leurs, R., 2012, In : Journal of Medicinal Chemistry. 55, p. 10572-10583

Research output: Contribution to JournalArticleAcademicpeer-review

Constitutive β-catenin signaling by the viral chemokine receptor US28

Langemeijer, E. V., Slinger, E., de Munnik, S. M., Schreiber, A., Maussang, D., Vischer, H. F., Verkaar, F., Leurs, R., Siderius, M. H. & Smit, M. J., 2012, In : PLoS ONE. 7, p. e48935

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File

Design, Synthesis, and Structure-Activity Relationships of Highly Potent 5-HT(3) Receptor Ligands

Verheij, M. H. P., Thompson, A. J., van Muijlwijk-Koezen, J. E., Lumnis, S. C. R., Leurs, R. & de Esch, I. J. P., 2012, In : Journal of Medicinal Chemistry. 55, p. 8603-8614

Research output: Contribution to JournalArticleAcademicpeer-review

Detailed structure-activity relationship of indolecarboxamides as H(4) receptor ligands

Engelhardt, H., de Esch, I. J. P., Kuhn, D., Smits, R. A., Zuiderveld, O. P., Dobler, J., Mayer, M., Lips, S., Arnhof, H., Scharn, D., Haaksma, E. E. & Leurs, R., 2012, In : European Journal of Medicinal Chemistry. 54, p. 660-668

Research output: Contribution to JournalArticleAcademicpeer-review

Development of a profiling strategy for metabolic mixtures by combining chromatography and mass spectrometry with cell-based GPCR signaling.

Nijmeijer, S., Vischer, H. F., Rudebeck, A. F., Fleurbaaij, F., Falck, D., Leurs, R., Niessen, W. M. A. & Kool, J., 2012, In : Journal of Biomolecular Screening. 17, p. 1329-1338

Research output: Contribution to JournalArticleAcademicpeer-review

Effects of Histamine H(4) Receptor Ligands in a Mouse Model of Gastric Ulceration

Adami, M., Pozzoli, C., Menozzi, A., Bertini, S., Passeri, B., Cantoni, A. M., Smits, R. A., de Esch, I. J. P., Leurs, R. & Coruzzi, G., 2012, In : Pharmacology. 89, p. 287-294

Research output: Contribution to JournalArticleAcademicpeer-review

High-resolution metabolic profiling towards G-protein coupled receptors: rapid and comprehensive screening of histamine H4 receptor ligands

Kool, J., Rudebeck, A. F., Fleurbaaij, F., Nijmeijer, S., Falck, D., Smits, R. A., Vischer, H. F., Leurs, R. & Niessen, W. M. A., 2012, In : Journal of Chromatography A. 1259, p. 213-220

Research output: Contribution to JournalArticleAcademicpeer-review

Ligand based design of novel histamine H₄ receptor antagonists; fragment optimization and analysis of binding kinetics

Smits, R. A., Lim, H. D., van der Meer, T. K., Kuhne, S., Bessembinder, K., Zuiderveld, O. P., Wijtmans, M., de Esch, I. J. P. & Leurs, R., 2012, In : Bioorganic and Medicinal Chemistry Letters. 22, p. 461-467

Research output: Contribution to JournalArticleAcademicpeer-review

Mapping histamine H4 receptor-ligand binding modes

Schultes, S., Nijmeijer, S., Engelhardt, H., Kooistra, A. J., Vischer, H. F., De Esch, I. J. P., Haaksma, E. E. J., Leurs, R. & de Graaf, C., 2012, In : MedChemComm. 4, 1, p. 193-204 12 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Optimizing virtual fragment screening for GPCRs: Identification of novel ligands for the histamine H3 receptor using ligand- and structure-based molecular fingerprints

Sirci, F., Istyastono, E. P., Vischer, H. F., Nijmeijer, S., Kuijer, M., Kooistra, A. J., Wijtmans, M., Mannhold, R., Leurs, R., de Esch, I. J. P. & de Graaf, C., 2012, In : Journal of Chemical Information and Modeling. 52, p. 3308-3324

Research output: Contribution to JournalArticleAcademicpeer-review

Pharmacological Modulation of Chemokine Receptor Function

Scholten, D. J., Canals, M., Maussang Detaille, D. A. B., Roumen, L., Smit, M. J., Wijtmans, M., de Graaf, C., Vischer, H. F. & Leurs, R., Mar 2012, In : British Journal of Pharmacology. 165, 6, p. 1617-1643 27 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Quinazolines and (iso)quinolines as potent 5HT3 ligands

van Muijlwijk-Koezen, J. E., Verheij, M. H. P., Thompson, A. J., Smit, A. B., Lumnis, S. C. R., Leurs, R. & de Esch, I. J. P., 24 Sep 2012, In : Journal of Medicinal Chemistry. 55, 20, p. 8603-8614 12 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access

Strain-dependent effects of the histamine H(4) receptor antagonist JNJ7777120 in a murine model of acute skin inflammation

Coruzzi, G., Pozzoli, C., Adami, M., Grandi, D., Guido, N., Smits, R. A., de Esch, I. J. P. & Leurs, R., 2012, In : Experimental Dermatology. 21, p. 32-37

Research output: Contribution to JournalArticleAcademicpeer-review

Structure-based design, synthesis and structure-activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholine-binding protein

Edink, E. S., Akdemir, A., Jansen, C. J. W., van Elk, R., Zuiderveld, O. P., de Kanter, F. J. J., van Muijlwijk- Koezen, J. E., Smit, A. B., Leurs, R. & de Esch, I. J. P., 2012, In : Bioorganic and Medicinal Chemistry Letters. 22, 3, p. 1448-1454 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Synthesis, modeling and functional activity of substituted styrene-amides as small-molecule CXCR7 agonists

Wijtmans, M., Maussang, D., Sirci, F., Scholten, D. J., Canals, M., Mujić-Delić, A., Chong, M., Chatalic, K. L. S., Custers, H., Janssen, E., de Graaf, C., Smit, M. J., de Esch, I. J. P. & Leurs, R., May 2012, In : European Journal of Medicinal Chemistry. 51, p. 184-192 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

The application of unnatural amino acids to chemokine receptor research

Siderius, M. H., van der Wal, M., Scholten, D. J., Smit, M. J., Sakmar, T. P., Leurs, R. & de Graaf, C., 2012, In : Drug Discovery Today. 9, p. e301-e313

Research output: Contribution to JournalArticleAcademicpeer-review

Therapeutic targeting of chemokine receptors by small molecules

Wijtmans, M., Scholten, D. J., de Esch, I. J. P., Smit, M. J. & Leurs, R., 2012, In : Drug Discovery Today. 9, p. e229-e236

Research output: Contribution to JournalArticleAcademicpeer-review