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Items: 1 to 20 of 195

1.

From three-dimensional GPCR structure to rational ligand discovery.

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

Adv Exp Med Biol. 2014;796:129-57. doi: 10.1007/978-94-007-7423-0_7. Review.

PMID:
24158804
2.

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.

Methods Enzymol. 2013;522:279-336. doi: 10.1016/B978-0-12-407865-9.00015-7. Review.

PMID:
23374191
3.

Extended template-based modeling and evaluation method using consensus of binding mode of GPCRs for virtual screening.

Sato M, Hirokawa T.

J Chem Inf Model. 2014 Nov 24;54(11):3153-61. doi: 10.1021/ci500499j. Epub 2014 Nov 11.

PMID:
25350693
4.

Characterizing common substructures of ligands for GPCR protein subfamilies.

Erguner B, Hattori M, Goto S, Kanehisa M.

Genome Inform. 2010;24:31-41.

5.

Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.

Coudrat T, Simms J, Christopoulos A, Wootten D, Sexton PM.

PLoS Comput Biol. 2017 Nov 13;13(11):e1005819. doi: 10.1371/journal.pcbi.1005819. eCollection 2017 Nov.

6.

A Structural Framework for GPCR Chemogenomics: What's In a Residue Number?

Vass M, Kooistra AJ, Verhoeven S, Gloriam D, de Esch IJP, de Graaf C.

Methods Mol Biol. 2018;1705:73-113. doi: 10.1007/978-1-4939-7465-8_4.

PMID:
29188559
7.
8.

Recent advances in structure-based virtual screening of G-protein coupled receptors.

Ananthan S, Zhang W, Hobrath JV.

AAPS J. 2009 Mar;11(1):178-85. doi: 10.1208/s12248-009-9094-3. Epub 2009 Mar 17. Review.

9.

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.

10.

The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays.

Schneider M, Wolf S, Schlitter J, Gerwert K.

FEBS Lett. 2011 Nov 16;585(22):3587-92. doi: 10.1016/j.febslet.2011.10.027. Epub 2011 Oct 21.

11.

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.

J Med Chem. 2011 Dec 8;54(23):8195-206. doi: 10.1021/jm2011589. Epub 2011 Nov 7.

12.

Customizing G Protein-coupled receptor models for structure-based virtual screening.

de Graaf C, Rognan D.

Curr Pharm Des. 2009;15(35):4026-48. Review.

PMID:
20028320
13.

Comparing Class A GPCRs to bitter taste receptors: Structural motifs, ligand interactions and agonist-to-antagonist ratios.

Di Pizio A, Levit A, Slutzki M, Behrens M, Karaman R, Niv MY.

Methods Cell Biol. 2016;132:401-27. doi: 10.1016/bs.mcb.2015.10.005. Epub 2015 Dec 24.

PMID:
26928553
14.

Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.

Cross JB.

Methods Mol Biol. 2018;1705:233-264. doi: 10.1007/978-1-4939-7465-8_11.

PMID:
29188566
15.

GPCR crystal structures: Medicinal chemistry in the pocket.

Shonberg J, Kling RC, Gmeiner P, Löber S.

Bioorg Med Chem. 2015 Jul 15;23(14):3880-906. doi: 10.1016/j.bmc.2014.12.034. Epub 2014 Dec 24. Review.

PMID:
25638496
16.

Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.

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

J Chem Inf Model. 2015 May 26;55(5):1045-61. doi: 10.1021/acs.jcim.5b00066. Epub 2015 May 1.

PMID:
25848966
17.

Docking and Virtual Screening Strategies for GPCR Drug Discovery.

Beuming T, Lenselink B, Pala D, McRobb F, Repasky M, Sherman W.

Methods Mol Biol. 2015;1335:251-76. doi: 10.1007/978-1-4939-2914-6_17.

PMID:
26260606
18.

Fragment-based lead discovery on G-protein-coupled receptors.

Visegrády A, Keserű GM.

Expert Opin Drug Discov. 2013 Jul;8(7):811-20. doi: 10.1517/17460441.2013.794135. Epub 2013 Apr 29. Review.

PMID:
23621346
19.

QSAR modeling of GPCR ligands: methodologies and examples of applications.

Tropsha A, Wang SX.

Ernst Schering Found Symp Proc. 2006;(2):49-73. Review.

PMID:
17703577
20.

Structure-based and fragment-based GPCR drug discovery.

Andrews SP, Brown GA, Christopher JA.

ChemMedChem. 2014 Feb;9(2):256-75. doi: 10.1002/cmdc.201300382. Epub 2013 Dec 18. Review.

PMID:
24353016

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