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Items: 1 to 20 of 74

1.

Structure-based design, synthesis and structure-activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholine-binding protein.

Edink E, Akdemir A, Jansen C, van Elk R, Zuiderveld O, de Kanter FJ, van Muijlwijk-Koezen JE, Smit AB, Leurs R, de Esch IJ.

Bioorg Med Chem Lett. 2012 Feb 1;22(3):1448-54. doi: 10.1016/j.bmcl.2011.12.008. Epub 2011 Dec 9.

PMID:
22243960
2.

Multiple interaction regions in the orthosteric ligand binding domain of the α7 neuronal nicotinic acetylcholine receptor.

Xiao Y, Hammond PS, Mazurov AA, Yohannes D.

J Chem Inf Model. 2012 Nov 26;52(11):3064-73. doi: 10.1021/ci3001953. Epub 2012 Nov 6.

PMID:
23092444
3.

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.

Bioorg Med Chem. 2011 Oct 15;19(20):6107-19. doi: 10.1016/j.bmc.2011.08.028. Epub 2011 Aug 27.

PMID:
21920761
4.

The 2.7 A structure of AChBP, homologue of the ligand-binding domain of the nicotinic acetylcholine receptor.

Brejc K, van Dijk WJ, Smit AB, Sixma TK.

Novartis Found Symp. 2002;245:22-9; discussion 29-32, 165-8. Review.

PMID:
12027010
5.

Structure and function of AChBP, homologue of the ligand-binding domain of the nicotinic acetylcholine receptor.

Smit AB, Brejc K, Syed N, Sixma TK.

Ann N Y Acad Sci. 2003 Sep;998:81-92. Review.

PMID:
14592865
6.

Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptor α7 ligands.

de Kloe GE, Retra K, Geitmann M, Källblad P, Nahar T, van Elk R, Smit AB, van Muijlwijk-Koezen JE, Leurs R, Irth H, Danielson UH, de Esch IJ.

J Med Chem. 2010 Oct 14;53(19):7192-201. doi: 10.1021/jm100834y.

PMID:
20828128
7.

Use of acetylcholine binding protein in the search for novel alpha7 nicotinic receptor ligands. In silico docking, pharmacological screening, and X-ray analysis.

Ulens C, Akdemir A, Jongejan A, van Elk R, Bertrand S, Perrakis A, Leurs R, Smit AB, Sixma TK, Bertrand D, de Esch IJ.

J Med Chem. 2009 Apr 23;52(8):2372-83. doi: 10.1021/jm801400g.

PMID:
19331415
8.

Toward atomic-scale understanding of ligand recognition in the muscle nicotinic receptor.

Sine SM, Wang HL, Gao F.

Curr Med Chem. 2004 Mar;11(5):559-67. Review.

PMID:
15032604
9.

Insight in nAChR subtype selectivity from AChBP crystal structures.

Rucktooa P, Smit AB, Sixma TK.

Biochem Pharmacol. 2009 Oct 1;78(7):777-87. doi: 10.1016/j.bcp.2009.06.098. Epub 2009 Jul 1. Review.

PMID:
19576182
10.

In silico characterization of cytisinoids docked into an acetylcholine binding protein.

Abin-Carriquiry JA, Zunini MP, Cassels BK, Wonnacott S, Dajas F.

Bioorg Med Chem Lett. 2010 Jun 15;20(12):3683-7. doi: 10.1016/j.bmcl.2010.04.092. Epub 2010 May 6.

PMID:
20493692
11.

Crystal structure of acetylcholine-binding protein from Bulinus truncatus reveals the conserved structural scaffold and sites of variation in nicotinic acetylcholine receptors.

Celie PH, Klaassen RV, van Rossum-Fikkert SE, van Elk R, van Nierop P, Smit AB, Sixma TK.

J Biol Chem. 2005 Jul 15;280(28):26457-66. Epub 2005 May 16.

12.

Docking to flexible nicotinic acetylcholine receptors: a validation study using the acetylcholine binding protein.

Sander T, Bruun AT, Balle T.

J Mol Graph Model. 2010 Nov;29(3):415-24. doi: 10.1016/j.jmgm.2010.08.004. Epub 2010 Sep 29.

PMID:
20884263
13.

A computational study of the binding of 3-(arylidene) anabaseines to two major brain nicotinic acetylcholine receptors and to the acetylcholine binding protein.

Slavov SH, Radzvilovits M, LeFrancois S, Stoyanova-Slavova IB, Soti F, Kem WR, Katritzky AR.

Eur J Med Chem. 2010 Jun;45(6):2433-46. doi: 10.1016/j.ejmech.2010.02.027. Epub 2010 Feb 13.

PMID:
20236734
14.

Computational evidence for the ligand selectivity to the alpha4beta2 and alpha3beta4 nicotinic acetylcholine receptors.

Yuan H, Petukhov PA.

Bioorg Med Chem. 2006 Dec 1;14(23):7936-42. Epub 2006 Aug 21.

PMID:
16919961
15.

AChBP-targeted alpha-conotoxin correlates distinct binding orientations with nAChR subtype selectivity.

Dutertre S, Ulens C, Büttner R, Fish A, van Elk R, Kendel Y, Hopping G, Alewood PF, Schroeder C, Nicke A, Smit AB, Sixma TK, Lewis RJ.

EMBO J. 2007 Aug 22;26(16):3858-67. Epub 2007 Jul 26.

16.

Discovery, synthesis, biological evaluation and structure-based optimization of novel piperidine derivatives as acetylcholine-binding protein ligands.

Shen J, Yang XC, Yu MC, Xiao L, Zhang XJ, Sun HJ, Chen H, Pan GX, Yan YR, Wang SC, Li W, Zhou L, Xie Q, Yu LQ, Wang YH, Shao LM.

Acta Pharmacol Sin. 2017 Jan;38(1):146-155. doi: 10.1038/aps.2016.124. Epub 2016 Dec 5.

PMID:
27917874
17.

Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors.

Brejc K, van Dijk WJ, Klaassen RV, Schuurmans M, van Der Oost J, Smit AB, Sixma TK.

Nature. 2001 May 17;411(6835):269-76.

PMID:
11357122
18.

Polypeptide and peptide toxins, magnifying lenses for binding sites in nicotinic acetylcholine receptors.

Tsetlin V, Utkin Y, Kasheverov I.

Biochem Pharmacol. 2009 Oct 1;78(7):720-31. doi: 10.1016/j.bcp.2009.05.032. Epub 2009 Jun 6. Review.

PMID:
19501053
19.

Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain.

Akdemir A, Edink E, Thompson AJ, Lummis SC, Kooistra AJ, de Graaf C, de Esch IJ.

Bioorg Med Chem. 2012 Oct 1;20(19):5992-6002. doi: 10.1016/j.bmc.2012.06.054. Epub 2012 Jul 11.

20.

Octahydropyrrolo[3,4-c]pyrrole: a diamine scaffold for construction of either alpha4beta2 or alpha7-selective nicotinic acetylcholine receptor (nAChR) ligands. Substitutions that switch subtype selectivity.

Bunnelle WH, Tietje KR, Frost JM, Peters D, Ji J, Li T, Scanio MJ, Shi L, Anderson DJ, Dyhring T, Grønlien JH, Ween H, Thorin-Hagene K, Meyer MD.

J Med Chem. 2009 Jul 23;52(14):4126-41. doi: 10.1021/jm900249k.

PMID:
19552432

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