Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

2014 ◽  
Vol 54 (6) ◽  
pp. 1737-1746 ◽  
Author(s):  
Eelke B. Lenselink ◽  
Thijs Beuming ◽  
Woody Sherman ◽  
Herman W. T. van Vlijmen ◽  
Adriaan P. IJzerman
Keyword(s):  
Virtual Screening ◽  
Binding Site ◽  
Optimal Number ◽  
Adenosine A2a Receptor ◽  
A2a Receptor ◽  
Adenosine A2a

Substructure-Based Virtual Screening for Adenosine A2A Receptor Ligands

ChemMedChem ◽  
2011 ◽  
Vol 6 (12) ◽  
pp. 2302-2311 ◽  
Author(s):  
Eelke van der Horst ◽  
Rianne van der Pijl ◽  
Thea Mulder-Krieger ◽  
Andreas Bender ◽  
Adriaan P. IJzerman
Keyword(s):  
Virtual Screening ◽  
Adenosine A2a Receptor ◽  
Receptor Ligands ◽  
A2a Receptor ◽  
Adenosine A2a

scholarly journals Identification of Novel Adenosine A2A Receptor Antagonists by Virtual Screening

2012 ◽  
Vol 55 (5) ◽  
pp. 1904-1909 ◽  
Author(s):  
Christopher J. Langmead ◽  
Stephen P. Andrews ◽  
Miles Congreve ◽  
James C. Errey ◽  
Edward Hurrell ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Adenosine A2a Receptor ◽  
Receptor Antagonists ◽  
Adenosine A2a Receptor Antagonists ◽  
A2a Receptor ◽  
Adenosine A2a

Synthesis of the Adenosine A2A Receptor Fluorescent Agonist MRS5424

BIO-PROTOCOL ◽  
2014 ◽  
Vol 4 (6) ◽  
Author(s):  
Kenneth Jacobson ◽  
Francisco Ciruela
Keyword(s):  
Adenosine A2a Receptor ◽  
A2a Receptor ◽  
Adenosine A2a

Optimization of the Human Adenosine A2a Receptor Yields in Saccharomyces cerevisiae

2008 ◽  
Vol 22 (5) ◽  
pp. 1249-1255 ◽  
Author(s):  
Alison Wedekind ◽  
Michelle A. O'Malley ◽  
Ronald T. Niebauer ◽  
Anne S. Robinson
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Adenosine A2a Receptor ◽  
A2a Receptor ◽  
Adenosine A2a

scholarly journals A Cellular Assay for the Identification and Characterization of Connexin Gap Junction Modulators

2021 ◽  
Vol 22 (3) ◽  
pp. 1417
Author(s):  
Azeem Danish ◽  
Robin Gedschold ◽  
Sonja Hinz ◽  
Anke C. Schiedel ◽  
Dominik Thimm ◽  
...  
Keyword(s):  
Gap Junctions ◽  
Small Molecules ◽  
High Throughput Screening ◽  
Cell Communication ◽  
Receptor Activation ◽  
Adenosine A2a Receptor ◽  
Intracellular Camp ◽  
Donor Cells ◽  
A2a Receptor ◽  
Adenosine A2a

Connexin gap junctions (Cx GJs) enable the passage of small molecules and ions between cells and are therefore important for cell-to-cell communication. Their dysfunction is associated with diseases, and small molecules acting as modulators of GJs may therefore be useful as therapeutic drugs. To identify GJ modulators, suitable assays are needed that allow compound screening. In the present study, we established a novel assay utilizing HeLa cells recombinantly expressing Cx43. Donor cells additionally expressing the Gs protein-coupled adenosine A2A receptor, and biosensor cells expressing a cAMP-sensitive GloSensor luciferase were established. Adenosine A2A receptor activation in the donor cells using a selective agonist results in intracellular cAMP production. The negatively charged cAMP migrates via the Cx43 gap junctions to the biosensor cells and can there be measured by the cAMP-dependent luminescence signal. Cx43 GJ modulators can be expected to impact the transfer of cAMP from the donor to the biosensor cells, since cAMP transit is only possible via GJs. The new assay was validated by testing the standard GJ inhibitor carbenoxolon, which showed a concentration-dependent inhibition of the signal and an IC50 value that was consistent with previously reported values. The assay was demonstrated to be suitable for high-throughput screening.

scholarly journals Correlation between low adenosine A2A receptor expression and hypercholesterolemia: A new component of the cardiovascular risk?

2021 ◽  
Vol 1866 (2) ◽  
pp. 158850
Author(s):  
Donato Vairo ◽  
Carola Giacobbe ◽  
Claire Guiol ◽  
Marie-Charlotte Chaptal ◽  
Maria Donata Di Taranto ◽  
...  
Keyword(s):  
Cardiovascular Risk ◽  
Adenosine A2a Receptor ◽  
Receptor Expression ◽  
A2a Receptor ◽  
Adenosine A2a
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