Roumen L - Search Results

1

Snooker: a structure-based pharmacophore generation tool applied to class A GPCRs.

Sanders MP, Verhoeven S, de Graaf C, Roumen L, Vroling B, Nabuurs SB, de Vlieg J, Klomp JP. Sanders MP, et al. Among authors: roumen l. J Chem Inf Model. 2011 Sep 26;51(9):2277-92. doi: 10.1021/ci200088d. Epub 2011 Sep 6. J Chem Inf Model. 2011. PMID: 21866955

2

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

Sanders MP, Roumen L, van der Horst E, Lane JR, Vischer HF, van Offenbeek J, de Vries H, Verhoeven S, Chow KY, Verkaar F, Beukers MW, McGuire R, Leurs R, Ijzerman AP, de Vlieg J, de Esch IJ, Zaman GJ, Klomp JP, Bender A, de Graaf C. Sanders MP, et al. Among authors: roumen l. J Med Chem. 2012 Jun 14;55(11):5311-25. doi: 10.1021/jm300280e. Epub 2012 May 23. J Med Chem. 2012. PMID: 22563707

3

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

Kooistra AJ, Roumen L, Leurs R, de Esch IJ, de Graaf C. Kooistra AJ, et al. Among authors: roumen l. Methods Enzymol. 2013;522:279-336. doi: 10.1016/B978-0-12-407865-9.00015-7. Methods Enzymol. 2013. PMID: 23374191 Review.

4

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.

Istyastono EP, Nijmeijer S, Lim HD, van de Stolpe A, Roumen L, Kooistra AJ, Vischer HF, de Esch IJ, Leurs R, de Graaf C. Istyastono EP, et al. Among authors: roumen l. J Med Chem. 2011 Dec 8;54(23):8136-47. doi: 10.1021/jm201042n. Epub 2011 Nov 7. J Med Chem. 2011. PMID: 22003888

5

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

de Kruijf P, Lim HD, Roumen L, Renjaän VA, Zhao J, Webb ML, Auld DS, Wijkmans JC, Zaman GJ, Smit MJ, de Graaf C, Leurs R. de Kruijf P, et al. Among authors: roumen l. Mol Pharmacol. 2011 Dec;80(6):1108-18. doi: 10.1124/mol.111.073825. Epub 2011 Sep 23. Mol Pharmacol. 2011. PMID: 21948388

6

Combining quantum mechanical ligand conformation analysis and protein modeling to elucidate GPCR-ligand binding modes.

Schultes S, Engelhardt H, Roumen L, Zuiderveld OP, Haaksma EE, de Esch IJ, Leurs R, de Graaf C. Schultes S, et al. Among authors: roumen l. ChemMedChem. 2013 Jan;8(1):49-53. doi: 10.1002/cmdc.201200412. Epub 2012 Nov 19. ChemMedChem. 2013. PMID: 23161844

7

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

Wijtmans M, Scholten DJ, Roumen L, Canals M, Custers H, Glas M, Vreeker MC, de Kanter FJ, de Graaf C, Smit MJ, de Esch IJ, Leurs R. Wijtmans M, et al. Among authors: roumen l. J Med Chem. 2012 Dec 13;55(23):10572-83. doi: 10.1021/jm301240t. Epub 2012 Nov 14. J Med Chem. 2012. PMID: 23150943

8

Pharmacological modulation of chemokine receptor function.

Scholten DJ, Canals M, Maussang D, Roumen L, Smit MJ, Wijtmans M, de Graaf C, Vischer HF, Leurs R. Scholten DJ, et al. Among authors: roumen l. Br J Pharmacol. 2012 Mar;165(6):1617-1643. doi: 10.1111/j.1476-5381.2011.01551.x. Br J Pharmacol. 2012. PMID: 21699506 Free PMC article. Review.

9

Identification of overlapping but differential binding sites for the high-affinity CXCR3 antagonists NBI-74330 and VUF11211.

Scholten DJ, Roumen L, Wijtmans M, Verkade-Vreeker MC, Custers H, Lai M, de Hooge D, Canals M, de Esch IJ, Smit MJ, de Graaf C, Leurs R. Scholten DJ, et al. Among authors: roumen l. Mol Pharmacol. 2014 Jan;85(1):116-26. doi: 10.1124/mol.113.088633. Epub 2013 Oct 30. Mol Pharmacol. 2014. PMID: 24174496

10

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

Roumen L, Scholten DJ, de Kruijf P, de Esch IJ, Leurs R, de Graaf C. Roumen L, et al. Drug Discov Today Technol. 2012 Winter;9(4):e281-91. doi: 10.1016/j.ddtec.2012.05.002. Drug Discov Today Technol. 2012. PMID: 24990665

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