de Esch IJP - Search Results

1

KLIFS: an overhaul after the first 5 years of supporting kinase research.

Kanev GK, de Graaf C, Westerman BA, de Esch IJP, Kooistra AJ. Kanev GK, et al. Among authors: de graaf c, de esch ijp. Nucleic Acids Res. 2021 Jan 8;49(D1):D562-D569. doi: 10.1093/nar/gkaa895. Nucleic Acids Res. 2021. PMID: 33084889 Free PMC article.

2

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

Jongejan A, de Graaf C, Vermeulen NP, Leurs R, de Esch IJ. Jongejan A, et al. Methods Mol Biol. 2005;310:63-91. doi: 10.1007/978-1-59259-948-6_5. Methods Mol Biol. 2005. PMID: 16350947

3

Molecular determinants of ligand binding to H4R species variants.

Lim HD, de Graaf C, Jiang W, Sadek P, McGovern PM, Istyastono EP, Bakker RA, de Esch IJ, Thurmond RL, Leurs R. Lim HD, et al. Mol Pharmacol. 2010 May;77(5):734-43. doi: 10.1124/mol.109.063040. Epub 2010 Jan 26. Mol Pharmacol. 2010. PMID: 20103609

4

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

Istyastono EP, de Graaf C, de Esch IJ, Leurs R. Istyastono EP, et al. Curr Top Med Chem. 2011;11(6):661-79. doi: 10.2174/1568026611109060661. Curr Top Med Chem. 2011. PMID: 21261593 Review.

5

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

Wijtmans M, de Graaf C, de Kloe G, Istyastono EP, Smit J, Lim H, Boonnak R, Nijmeijer S, Smits RA, Jongejan A, Zuiderveld O, de Esch IJ, Leurs R. Wijtmans M, et al. J Med Chem. 2011 Mar 24;54(6):1693-703. doi: 10.1021/jm1013488. Epub 2011 Feb 24. J Med Chem. 2011. PMID: 21348462

6

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

Verheij MH, de Graaf C, de Kloe GE, Nijmeijer S, Vischer HF, Smits RA, Zuiderveld OP, Hulscher S, Silvestri L, Thompson AJ, van Muijlwijk-Koezen JE, Lummis SC, Leurs R, de Esch IJ. Verheij MH, et al. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5460-4. doi: 10.1016/j.bmcl.2011.06.123. Epub 2011 Jul 2. Bioorg Med Chem Lett. 2011. PMID: 21782429 Free PMC article.

7

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, Elk Rv, Bertrand S, Sixma TK, Bertrand D, Smit AB, Leurs R, de Graaf C, de Esch IJ. Akdemir A, et al. Bioorg Med Chem. 2011 Oct 15;19(20):6107-19. doi: 10.1016/j.bmc.2011.08.028. Epub 2011 Aug 27. Bioorg Med Chem. 2011. PMID: 21920761

8

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. J Med Chem. 2011 Dec 8;54(23):8136-47. doi: 10.1021/jm201042n. Epub 2011 Nov 7. J Med Chem. 2011. PMID: 22003888

9

Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor.

de Graaf C, Kooistra AJ, Vischer HF, Katritch V, Kuijer M, Shiroishi M, Iwata S, Shimamura T, Stevens RC, de Esch IJ, Leurs R. de Graaf C, et al. J Med Chem. 2011 Dec 8;54(23):8195-206. doi: 10.1021/jm2011589. Epub 2011 Nov 7. J Med Chem. 2011. PMID: 22007643 Free PMC article.

10

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

Wijtmans M, Maussang D, Sirci F, Scholten DJ, Canals M, Mujić-Delić A, Chong M, Chatalic KL, Custers H, Janssen E, de Graaf C, Smit MJ, de Esch IJ, Leurs R. Wijtmans M, et al. Eur J Med Chem. 2012 May;51:184-92. doi: 10.1016/j.ejmech.2012.02.041. Epub 2012 Feb 27. Eur J Med Chem. 2012. PMID: 22424612

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