Format
Sort by

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 177

1.

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists.

Kolb P, Phan K, Gao ZG, Marko AC, Sali A, Jacobson KA.

PLoS One. 2012;7(11):e49910. doi: 10.1371/journal.pone.0049910.

2.

Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study.

Ciancetta A, Cuzzolin A, Moro S.

J Chem Inf Model. 2014 Aug 25;54(8):2243-54. doi: 10.1021/ci5002857.

PMID:
25046649
3.

Functionalized congener approach to the design of ligands for G protein-coupled receptors (GPCRs).

Jacobson KA.

Bioconjug Chem. 2009 Oct 21;20(10):1816-35. doi: 10.1021/bc9000596. Review.

4.

Novel thiazole-thiophene conjugates as adenosine receptor antagonists: synthesis, biological evaluation and docking studies.

Pandya DH, Sharma JA, Jalani HB, Pandya AN, Sudarsanam V, Kachler S, Klotz KN, Vasu KK.

Bioorg Med Chem Lett. 2015 Mar 15;25(6):1306-9. doi: 10.1016/j.bmcl.2015.01.040.

PMID:
25686851
5.

Structure based prediction of subtype-selectivity for adenosine receptor antagonists.

Katritch V, Kufareva I, Abagyan R.

Neuropharmacology. 2011 Jan;60(1):108-15. doi: 10.1016/j.neuropharm.2010.07.009.

6.

Adenosine receptor modeling: what does the A2A crystal structure tell us?

Dal Ben D, Lambertucci C, Marucci G, Volpini R, Cristalli G.

Curr Top Med Chem. 2010;10(10):993-1018. Review.

PMID:
20370656
7.

Evaluation of homology modeling of G-protein-coupled receptors in light of the A(2A) adenosine receptor crystallographic structure.

Ivanov AA, Barak D, Jacobson KA.

J Med Chem. 2009 May 28;52(10):3284-92. doi: 10.1021/jm801533x.

8.
9.

The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives.

Federico S, Redenti S, Sturlese M, Ciancetta A, Kachler S, Klotz KN, Cacciari B, Moro S, Spalluto G.

PLoS One. 2015 Dec 1;10(12):e0143504. doi: 10.1371/journal.pone.0143504.

10.

Bridging molecular docking to membrane molecular dynamics to investigate GPCR-ligand recognition: the human A₂A adenosine receptor as a key study.

Sabbadin D, Ciancetta A, Moro S.

J Chem Inf Model. 2014 Jan 27;54(1):169-83. doi: 10.1021/ci400532b.

PMID:
24359090
11.

G protein-coupled adenosine (P1) and P2Y receptors: ligand design and receptor interactions.

Jacobson KA, Balasubramanian R, Deflorian F, Gao ZG.

Purinergic Signal. 2012 Sep;8(3):419-36. doi: 10.1007/s11302-012-9294-7. Review.

12.

Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors.

Nguyen ED, Norn C, Frimurer TM, Meiler J.

PLoS One. 2013 Jul 2;8(7):e67302. doi: 10.1371/journal.pone.0067302.

13.

Synthesis and pharmacological characterization of a new series of 5,7-disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazine derivatives as adenosine receptor antagonists: A preliminary inspection of ligand-receptor recognition process.

Pastorin G, Federico S, Paoletta S, Corradino M, Cateni F, Cacciari B, Klotz KN, Gao ZG, Jacobson KA, Spalluto G, Moro S.

Bioorg Med Chem. 2010 Apr 1;18(7):2524-36. doi: 10.1016/j.bmc.2010.02.039.

14.

Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.

Vilar S, Ferino G, Phatak SS, Berk B, Cavasotto CN, Costanzi S.

J Mol Graph Model. 2011 Feb;29(5):614-23. doi: 10.1016/j.jmgm.2010.11.005.

15.
16.

Pharmacophoric models and 3D QSAR studies of the adenosine receptor ligands.

Tintori C, Manetti F, Botta M.

Curr Top Med Chem. 2010;10(10):1019-35. Review.

PMID:
20370655
17.

Towards predictive docking at aminergic G-protein coupled receptors.

Jakubík J, El-Fakahany EE, Doležal V.

J Mol Model. 2015 Nov;21(11):284. doi: 10.1007/s00894-015-2824-9.

PMID:
26453085
18.
19.

Fluorescent ligands for adenosine receptors.

Kozma E, Jayasekara PS, Squarcialupi L, Paoletta S, Moro S, Federico S, Spalluto G, Jacobson KA.

Bioorg Med Chem Lett. 2013 Jan 1;23(1):26-36. doi: 10.1016/j.bmcl.2012.10.112. Review.

20.

Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.

Daga PR, Polgar WE, Zaveri NT.

J Chem Inf Model. 2014 Oct 27;54(10):2732-43. doi: 10.1021/ci500291a.

Items per page

Supplemental Content

Support Center