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Adenosine A2 Receptor Antagonists

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Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking.

PLoS computational biology 33739970
Adenosine receptors (ARs) have been demonstrated to be potential therapeutic targets against Parkinson's disease (PD). In the present study, we describe a multistage virtual screening approach that identifies dual adenosine A1 and A2A receptor antago...
Adenosine A1 Receptor Antagonists Adenosine A2 Receptor Antagonists Deep Learning Drug Discovery Humans Molecular Docking Simulation Parkinson Disease Protein Binding Receptor, Adenosine A2A
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Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A receptor antagonists.

Journal of biomolecular structure & dynamics 38133953
The Adenosine A receptor (AAR) is considered a novel potential target for the immunotherapy of cancer, and AAR antagonists have an inhibitory effect on tumor growth, proliferation, and metastasis. In our previous studies, we identified a class of ben...
Adenosine A2 Receptor Antagonists Benzimidazoles Deep Learning Drug Design Humans Molecular Docking Simulation Molecular Dynamics Simulation Molecular Structure Protein Binding Pyrazines Receptor, Adenosine A2B Structure-Activity Relationship
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