Rob Leurs

发表

KLIFS: a structural kinase-ligand interaction database

Chris de Graaf, Iwan J. P. de Esch, Albert J. Kooistra, 2015, Nucleic Acids Res..

Transforming fragments into candidates: small becomes big in medicinal chemistry.

Rob Leurs, Gerdien E de Kloe, David Bailey, 2009, Drug discovery today.

3-D-eChem VM: Cheminformatics Research Infrastructure in a Downloadable Virtual Machine

Stefan Verhoeven, Chris de Graaf, Tina Ritschel, 2016 .

From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands.

Chris de Graaf, Rob Leurs, Iwan J P de Esch, 2013, Methods in enzymology.

Ligand efficiency as a guide in fragment hit selection and optimization.

Chris de Graaf, Iwan J. P. de Esch, Rob Leurs, 2010, Drug discovery today. Technologies.

Delineation of Agonist Binding to the Human Histamine H4 Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations

Iwan J. P. de Esch, Rob Leurs, Eric E. J. Haaksma, 2008, J. Chem. Inf. Model..

3D-E-Chem-Vm: Cheminformatics Toolbox In A Freely Available Virtual Machine

Lars Ridder, Stefan Verhoeven, Chris de Graaf, 2016 .

Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study

Chris de Graaf, Iwan J. P. de Esch, Albert J. Kooistra, 2015, J. Chem. Inf. Model..

3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery

Stefan Verhoeven, Ross McGuire, Márton Vass, 2018, ChemMedChem.

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

Bas Vroling, Rob Leurs, Sander B. Nabuurs, 2011, Pharmaceuticals.

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4 Receptors

Saskia Nijmeijer, Chris de Graaf, Iwan J. P. de Esch, 2015, J. Chem. Inf. Model..

The role and application of in silico docking in chemical genomics research.

Chris de Graaf, Rob Leurs, Nico P E Vermeulen, 2005, Methods in molecular biology.

Function-specific virtual screening for GPCR ligands using a combined scoring method

Chris de Graaf, Albert J. Kooistra, Rob Leurs, 2016, Scientific Reports.

Molecular interaction fingerprint approaches for GPCR drug discovery.

Tina Ritschel, Márton Vass, Chris de Graaf, 2016, Current opinion in pharmacology.

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

Lars Ridder, Chris de Graaf, Tina Ritschel, 2017, J. Chem. Inf. Model..

From three-dimensional GPCR structure to rational ligand discovery.

Chris de Graaf, Rob Leurs, Iwan J P de Esch, 2014, Advances in experimental medicine and biology.

The heat is on: thermodynamic analysis in fragment-based drug discovery.

Iwan J. P. de Esch, Rob Leurs, Ewald Edink, 2010, Drug discovery today. Technologies.

Discovery of Naturally Occurring Splice Variants of the Rat Histamine H3 Receptor That Act as Dominant-Negative Isoforms

Rob Leurs, Remko A. Bakker, Pertti Panula, 2006, Molecular Pharmacology.

Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo.

Rob Leurs, Iwan J P de Esch, R. Smits, 2008, Journal of medicinal chemistry.

Phenyldihydropyrazolones as Novel Lead Compounds Against Trypanosoma cruzi

Rob Leurs, Marco Siderius, Ewald Edink, 2019, ACS Omega.

International Union of Basic and Clinical Pharmacology. XCVIII. Histamine Receptors

Rob Leurs, Holger Stark, H. Haas, 2015, Pharmacological Reviews.

Evaluation of Histamine H1-, H2-, and H3-Receptor Ligands at the Human Histamine H4 Receptor: Identification of 4-Methylhistamine as the First Potent and Selective H4 Receptor Agonist

Rob Leurs, Remko A. Bakker, R. Thurmond, 2005, Journal of Pharmacology and Experimental Therapeutics.

Increased brain histamine in an alcohol‐preferring rat line, and modulation of ethanol consumption by H3 receptor mechanisms

Rob Leurs, Pertti Panula, Leena Tuomisto, 2001 .

Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity.

Saskia Nijmeijer, Chris de Graaf, Rob Leurs, 2011, Journal of medicinal chemistry.

Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies.

Saskia Nijmeijer, Chris de Graaf, Rob Leurs, 2011, Journal of medicinal chemistry.

Changes in hippocampal histamine receptors across the hibernation cycle in ground squirrels

Rob Leurs, Pertti Panula, R. Leurs, 2003, Hippocampus.

Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure.

Chris de Graaf, Rob Leurs, Iwan J P de Esch, 2013, Journal of medicinal chemistry.

Molecular Determinants of Ligand Binding to H4R Species Variants

Wen Jiang, Chris de Graaf, Rob Leurs, 2010, Molecular Pharmacology.

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

Rob Leurs, Iwan J P de Esch, Ewald Edink, 2011, Journal of the American Chemical Society.

Evaluation of Histamine H 1-, H 2-, and H 3-Receptor Ligands at the Human Histamine H 4 Receptor : Identification of 4-Methylhistamine as the First Potent and Selective H 4 Receptor Agonist

Rob Leurs, Remko A. Bakker, R. Thurmond, 2005 .

Viral hijacking of human receptors through heterodimerization.

Saskia Nijmeijer, Rob Leurs, R. Leurs, 2008, Biochemical and biophysical research communications.

Delineation of Receptor‐Ligand Interactions at the Human Histamine H1 Receptor by a Combined Approach of Site‐Directed Mutagenesis and Computational Techniques – or – How to Bind the H1 Receptor

Rob Leurs, Aldo Jongejan, R. Leurs, 2005, Archiv der Pharmazie.

Fragment-Based Screening in Tandem with Phenotypic Screening Provides Novel Antiparasitic Hits

Rob Leurs, Marco Siderius, Ewald Edink, 2015, Journal of biomolecular screening.

A Structural Insight into the Reorientation of Transmembrane Domains 3 and 5 during Family A G Protein-Coupled Receptor Activation

Saskia Nijmeijer, Rob Leurs, Leonardo Pardo, 2011, Molecular Pharmacology.

Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology

Rob Leurs, Iwan J P de Esch, Albert J Kooistra, 2018, Journal of the American Chemical Society.

High-Resolution Bioactivity Profiling of Mixtures toward the Acetylcholine Binding Protein Using a Nanofractionation Spotter Technology

Rob Leurs, Henk Lingeman, Ewald Edink, 2011, Journal of biomolecular screening.

Pharmacogenomic and structural analysis of constitutive g protein-coupled receptor activity.

Rob Leurs, Leonardo Pardo, Henk Timmerman, 2007, Annual review of pharmacology and toxicology.

Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1.

Rob Leurs, Emily Adams, Paul Cos, 2012, Journal of medicinal chemistry.

Human cytomegalovirus-encoded chemokine receptor US28 promotes tumorigenesis

Rob Leurs, Jens Holl, R. Leurs, 2006, Proceedings of the National Academy of Sciences.

Small and colorful stones make beautiful mosaics: fragment-based chemogenomics.

Saskia Nijmeijer, Chris de Graaf, Rob Leurs, 2013, Drug Discovery Today.

Mapping histamine H4 receptor–ligand binding modes

Saskia Nijmeijer, Chris de Graaf, Iwan J. P. de Esch, 2013 .

Noncompetitive Antagonism and Inverse Agonism as Mechanism of Action of Nonpeptidergic Antagonists at Primate and Rodent CXCR3 Chemokine Receptors

Rob Leurs, Martine J. Smit, Guido J. R. Zaman, 2008, Journal of Pharmacology and Experimental Therapeutics.

Agonist-dependent effects of mutations in the sphingosine-1-phosphate type 1 receptor.

Didier Rognan, Chris de Graaf, Rob Leurs, 2011, European journal of pharmacology.

Photoswitching the Efficacy of a Small-Molecule Ligand for a Peptidergic GPCR: from Antagonism to Agonism.

Rob Leurs, Iwan J P de Esch, Maikel Wijtmans, 2018, Angewandte Chemie.

Marked changes in signal transduction upon heteromerization of dopamine D1 and histamine H3 receptors

Rob Leurs, Sergi Ferré, Rafael Franco, 2009, British journal of pharmacology.

Constitutive ß-Catenin Signaling by the Viral Chemokine Receptor US28

Rob Leurs, Marco Siderius, Martine J. Smit, 2012, PloS one.

Cloning and characterization of dominant negative splice variants of the human histamine H4 receptor.

Ellen Langemeijer, Rob Leurs, Yongjun Qin, 2008, The Biochemical journal.

Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor

Saskia Nijmeijer, Chris de Graaf, Iwan J. P. de Esch, 2015 .

Domain Swapping in the Human Histamine H1 Receptor

Graeme Milligan, Rob Leurs, R. Leurs, 2004, Journal of Pharmacology and Experimental Therapeutics.

A selective human H(4)-receptor agonist: (-)-2-cyano-1-methyl-3-[(2R,5R)-5- [1H-imidazol-4(5)-yl]tetrahydrofuran-2-y] methylguanidine.

Rob Leurs, Takeshi Hashimoto, O. Zuiderveld, 2003, Journal of medicinal chemistry.

CXCR3-mediated chemotaxis of human T cells is regulated by a Gi- and phospholipase C-dependent pathway and not via activation of MEK/p44/p42 MAPK nor Akt/PI-3 kinase.

Rob Leurs, R. Leurs, M. Smit, 2003, Blood.

A Flow-Through Fluorescence Polarization Detection System for Measuring GPCR-Mediated Modulation of cAMP Production

Rob Leurs, Nico P E Vermeulen, Michel Gillard, 2007, Journal of biomolecular screening.

Molecular and biochemical pharmacology of the histamine H4 receptor

Rob Leurs, Iwan J P de Esch, I. D. de Esch, 2009, British journal of pharmacology.

Keynote review: histamine H3 receptor antagonists reach out for the clinic.

Rob Leurs, Iwan J P de Esch, Maikel Wijtmans, 2005, Drug discovery today.

The human cytomegalovirus-encoded chemokine receptor US28 promotes angiogenesis and tumor formation via cyclooxygenase-2.

Ellen Langemeijer, Remco Dijkman, Rob Leurs, 2009, Cancer research.

Development of a Profiling Strategy for Metabolic Mixtures by Combining Chromatography and Mass Spectrometry with Cell-Based GPCR Signaling

Saskia Nijmeijer, Rob Leurs, Jeroen Kool, 2012, Journal of biomolecular screening.

A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design.

Andreas Bender, Stefan Verhoeven, Ross McGuire, 2012, Journal of medicinal chemistry.

Conclusions and discussion.

Rob Leurs, Henry F. Vischer, Sabrina M. de Munnik, 1990, Occasional paper.

Towards Small‐Molecule CXCR3 Ligands with Clinical Potential

Rob Leurs, Maikel Wijtmans, R. Leurs, 2008, ChemMedChem.

Constitutive Signaling of the Human Cytomegalovirus-encoded Chemokine Receptor US28*

Rob Leurs, Martine J. Smit, Henk Timmerman, 2001, The Journal of Biological Chemistry.