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Structural insights into serotonin receptor ligands polypharmacology.
Podlewska S, Kafel R, Lacivita E, Satała G, Kooistra AJ, Vass M, de Graaf C, Leopoldo M, Bojarski AJ, Mordalski S. Podlewska S, et al. Among authors: de graaf c. Eur J Med Chem. 2018 May 10;151:797-814. doi: 10.1016/j.ejmech.2018.04.010. Epub 2018 Apr 6. Eur J Med Chem. 2018. PMID: 29679900
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. Among authors: de esch ij, de kloe g, de graaf c. J Med Chem. 2011 Mar 24;54(6):1693-703. doi: 10.1021/jm1013488. Epub 2011 Feb 24. J Med Chem. 2011. PMID: 21348462
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. Among authors: de esch ij, de graaf c, de kloe ge. 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.
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. Among authors: de esch ij, de graaf c. 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
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: de esch ij, de graaf c. J Med Chem. 2011 Dec 8;54(23):8136-47. doi: 10.1021/jm201042n. Epub 2011 Nov 7. J Med Chem. 2011. PMID: 22003888
506 results