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Items: 1 to 20 of 114

1.

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.

ChemMedChem. 2013 Jan;8(1):49-53. doi: 10.1002/cmdc.201200412. Epub 2012 Nov 19.

PMID:
23161844
2.

A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design.

Kooistra AJ, Kuhne S, de Esch IJ, Leurs R, de Graaf C.

Br J Pharmacol. 2013 Sep;170(1):101-26. doi: 10.1111/bph.12248.

3.

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.

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

PMID:
22003888
4.

In silico characterization of ligand binding modes in the human histamine H4 receptor and their impact on receptor activation.

Werner T, Sander K, Tanrikulu Y, Kottke T, Proschak E, Stark H, Schneider G.

Chembiochem. 2010 Sep 3;11(13):1850-5. doi: 10.1002/cbic.201000180. No abstract available.

PMID:
20665769
5.

Docking and MD study of histamine H4R based on the crystal structure of H1R.

Feng Z, Hou T, Li Y.

J Mol Graph Model. 2013 Feb;39:1-12. doi: 10.1016/j.jmgm.2012.10.003. Epub 2012 Oct 23.

PMID:
23220277
6.

Synthesis and evaluation of novel ligands for the histamine H₄ receptor based on a pyrrolo[2,3-d]pyrimidine scaffold.

Gao LJ, Schwed JS, Weizel L, De Jonghe S, Stark H, Herdewijn P.

Bioorg Med Chem Lett. 2013 Jan 1;23(1):132-7. doi: 10.1016/j.bmcl.2012.10.139. Epub 2012 Nov 15.

PMID:
23218604
7.

Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode.

Engelhardt H, Schultes S, de Graaf C, Nijmeijer S, Vischer HF, Zuiderveld OP, Dobler J, Stachurski K, Mayer M, Arnhof H, Scharn D, Haaksma EE, de Esch IJ, Leurs R.

J Med Chem. 2013 Jun 13;56(11):4264-76. doi: 10.1021/jm301886t. Epub 2013 May 28.

PMID:
23668417
8.

Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands.

Lee-Dutra A, Arienti KL, Buzard DJ, Hack MD, Khatuya H, Desai PJ, Nguyen S, Thurmond RL, Karlsson L, Edwards JP, Breitenbucher JG.

Bioorg Med Chem Lett. 2006 Dec 1;16(23):6043-8. Epub 2006 Sep 20.

PMID:
16990005
9.

Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R antagonism.

Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A.

PLoS One. 2014 Oct 16;9(10):e109340. doi: 10.1371/journal.pone.0109340. eCollection 2014.

10.

Molecular pharmacology of histamine H4 receptors.

Nijmeijer S, de Graaf C, Leurs R, Vischer HF.

Front Biosci (Landmark Ed). 2012 Jun 1;17:2089-106. Review.

PMID:
22652766
11.

Targeting the histamine H4 receptor.

Marson CM.

Chem Rev. 2011 Nov 9;111(11):7121-56. doi: 10.1021/cr900166w. Epub 2011 Aug 15. Review. No abstract available.

PMID:
21842846
12.

Species-dependent activities of G-protein-coupled receptor ligands: lessons from histamine receptor orthologs.

Strasser A, Wittmann HJ, Buschauer A, Schneider EH, Seifert R.

Trends Pharmacol Sci. 2013 Jan;34(1):13-32. doi: 10.1016/j.tips.2012.10.004. Epub 2012 Dec 8. Review.

PMID:
23228711
13.

Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening.

Kiss R, Kiss B, Könczöl A, Szalai F, Jelinek I, László V, Noszál B, Falus A, Keseru GM.

J Med Chem. 2008 Jun 12;51(11):3145-53. doi: 10.1021/jm7014777. Epub 2008 May 7.

PMID:
18459760
14.

Ligand-based homology modeling as attractive tool to inspect GPCR structural plasticity.

Moro S, Deflorian F, Bacilieri M, Spalluto G.

Curr Pharm Des. 2006;12(17):2175-85. Review.

PMID:
16796562
15.

Aryl-1,3,5-triazine derivatives as histamine H4 receptor ligands.

Łażewska D, Więcek M, Ner J, Kamińska K, Kottke T, Schwed JS, Zygmunt M, Karcz T, Olejarz A, Kuder K, Latacz G, Grosicki M, Sapa J, Karolak-Wojciechowska J, Stark H, Kieć-Kononowicz K.

Eur J Med Chem. 2014 Aug 18;83:534-46. doi: 10.1016/j.ejmech.2014.06.032. Epub 2014 Jun 17.

PMID:
24996140
16.

Activation mechanism of the human histamine H4 receptor--an explicit membrane molecular dynamics simulation study.

Jójárt B, Kiss R, Viskolcz B, Keseru GM.

J Chem Inf Model. 2008 Jun;48(6):1199-210. doi: 10.1021/ci700450w. Epub 2008 Jun 23.

PMID:
18572901
17.

2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization.

Sander K, Kottke T, Tanrikulu Y, Proschak E, Weizel L, Schneider EH, Seifert R, Schneider G, Stark H.

Bioorg Med Chem. 2009 Oct 15;17(20):7186-96. doi: 10.1016/j.bmc.2009.08.059. Epub 2009 Sep 2.

PMID:
19773175
18.

Delineation of agonist binding to the human histamine H4 receptor using mutational analysis, homology modeling, and ab initio calculations.

Jongejan A, Lim HD, Smits RA, de Esch IJ, Haaksma E, Leurs R.

J Chem Inf Model. 2008 Jul;48(7):1455-63. doi: 10.1021/ci700474a. Epub 2008 Jun 14.

PMID:
18553960
19.

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor.

Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, Sander K, Schneider E, Seifert R, Stark H, Clark T, Schneider G.

ChemMedChem. 2009 May;4(5):820-7. doi: 10.1002/cmdc.200800443.

PMID:
19343764
20.

Functional selectivity of G-protein-coupled receptors: from recombinant systems to native human cells.

Seifert R.

Biochem Pharmacol. 2013 Oct 1;86(7):853-61. doi: 10.1016/j.bcp.2013.07.029. Epub 2013 Aug 8. Review.

PMID:
23933388

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