scholarly journals Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap 2’-O-Methyltransferase

2020 ◽  
Author(s):  
David Snyder ◽  
Shweta Mehta
Keyword(s):  
High Resolution ◽  
Conformational Changes ◽  
Adenosine Receptor ◽  
Energy Minimization ◽  
Computational Study ◽  
Crystallographic Structure ◽  
Receptor Ligands ◽  
Zinc Database ◽  
Adenosine Receptor Ligands ◽  
Better Than

This is a computational study using a high resolution crystallographic structure for the SARS-CoV2 mRNA cap 2'-O-methyltransferase (nsp16) and ligands obtained from the ZINC database. Using iGEMDOCK for docking and Desmond/Schrodinger for energy minimization, we identify adenosine receptor binders that potentially bind a previously identified adenosine binding site in SARS-CoV2 nsp16 better than adenosine does, some of which may induce conformational changes in nsp16.

scholarly journals Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap Guanine-N7 Methyltransferase

2020 ◽  
Author(s):  
David Snyder ◽  
Shweta Mehta
Keyword(s):  
High Resolution ◽  
Conformational Changes ◽  
Adenosine Receptor ◽  
Energy Minimization ◽  
Computational Study ◽  
Crystallographic Structure ◽  
Receptor Ligands ◽  
Zinc Database ◽  
Adenosine Receptor Ligands ◽  
Better Than

This is a computational study using a high resolution crystallographic structure for the SARS-CoV2 mRNA cap guanine-N7 methyltransferase (nsp16) and ligands obtained from the ZINC database. Using iGEMDOCK for docking and Desmond/Schrodinger for energy minimization, we identify adenosine receptor binders that potentially bind a previously identified adenosine binding site in SARS-CoV2 nsp16 better than adenosine does, some of which may induce conformational changes in nsp16.

scholarly journals Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap 2’-O-Methyltransferase

2020 ◽  
Author(s):  
David Snyder ◽  
Shweta Mehta
Keyword(s):  
High Resolution ◽  
Conformational Changes ◽  
Adenosine Receptor ◽  
Energy Minimization ◽  
Computational Study ◽  
Crystallographic Structure ◽  
Receptor Ligands ◽  
Zinc Database ◽  
Adenosine Receptor Ligands ◽  
Better Than

This is a computational study using a high resolution crystallographic structure for the SARS-CoV2 mRNA cap 2'-O-methyltransferase (nsp16) and ligands obtained from the ZINC database. Using iGEMDOCK for docking and Desmond/Schrodinger for energy minimization, we identify adenosine receptor binders that potentially bind a previously identified adenosine binding site in SARS-CoV2 nsp16 better than adenosine does, some of which may induce conformational changes in nsp16.

Pharmacology and Therapeutic Applications of A1 Adenosine Receptor Ligands

2003 ◽  
Vol 3 (4) ◽  
pp. 369-385 ◽  
Author(s):  
Arvinder Dhalla ◽  
John Shryock ◽  
Revati Shreeniwas ◽  
Luiz Belardinelli
Keyword(s):  
Adenosine Receptor ◽  
Receptor Ligands ◽  
A1 Adenosine Receptor ◽  
Therapeutic Applications ◽  
Adenosine Receptor Ligands

Recent Advances on QSAR-Based Profiling of Agonist and Antagonist A3 Adenosine Receptor Ligands

2013 ◽  
Vol 13 (9) ◽  
pp. 1048-1068 ◽  
Author(s):  
Changliang Deng ◽  
Feng Luan ◽  
Maykel Cruz- Monteagudo ◽  
Fernanda Borges ◽  
M. Natalia D. S. Cordeiro
Keyword(s):  
Adenosine Receptor ◽  
Receptor Ligands ◽  
Recent Advances ◽  
A3 Adenosine Receptor ◽  
Agonist And Antagonist ◽  
Adenosine Receptor Ligands

scholarly journals Publisher Correction: Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D)

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Song-Bing He ◽  
Ben Hu ◽  
Zheng-Kun Kuang ◽  
Dong Wang ◽  
De-Xin Kong
Keyword(s):  
Adenosine Receptor ◽  
Three Dimensional ◽  
Receptor Ligands ◽  
Biologically Relevant ◽  
Subtype Selectivity ◽  
Adenosine Receptor Ligands

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

scholarly journals Adenosine receptor ligands: differences with acute versus chronic treatment

1996 ◽  
Vol 17 (3) ◽  
pp. 108-113 ◽  
Author(s):  
Kenneth A. Jacobson ◽  
Dag K.J.E. von Lubitz ◽  
John W. Daly ◽  
Bertil B. Fredholm
Keyword(s):  
Adenosine Receptor ◽  
Chronic Treatment ◽  
Receptor Ligands ◽  
Adenosine Receptor Ligands

Development of novel pyridazinone-based adenosine receptor ligands

2018 ◽  
Vol 28 (9) ◽  
pp. 1484-1489 ◽  
Author(s):  
Daniela Catarzi ◽  
Flavia Varano ◽  
Matteo Falsini ◽  
Katia Varani ◽  
Fabrizio Vincenzi ◽  
...  
Keyword(s):  
Adenosine Receptor ◽  
Receptor Ligands ◽  
Adenosine Receptor Ligands
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