Abstract
Here we report novel thiazole-thiophene conjugates as adenosine receptor antagonists. All the molecules were evaluated for their binding affinity for adenosine receptors. Most of the molecules were found to interact with the A1, A2A and A3 adenosine receptor subtypes with good affinity values. The most potent and selective compound 8n showed an A3Ki value of 0.33μM with selectivity ratios of >90 versus the A1 and >30 versus the A2 subtypes. For compound 8n docking studies into the binding site of the A3 adenosine receptor are provided to visualize its binding mode.
Keywords:
Adenosine receptors; Molecular docking; Thiazoles; Thiophenes.
Copyright © 2015. Published by Elsevier Ltd.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Binding Sites
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Catalytic Domain
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Kinetics
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Molecular Docking Simulation
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Protein Binding
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Purinergic P1 Receptor Antagonists / chemical synthesis*
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Purinergic P1 Receptor Antagonists / chemistry
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Purinergic P1 Receptor Antagonists / metabolism
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Receptor, Adenosine A1 / chemistry
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Receptor, Adenosine A1 / metabolism
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Receptor, Adenosine A3 / chemistry
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Receptor, Adenosine A3 / metabolism
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Receptors, Adenosine A2 / chemistry
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Receptors, Adenosine A2 / metabolism
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Receptors, Purinergic P1 / chemistry*
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Receptors, Purinergic P1 / metabolism
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Structure-Activity Relationship
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Thiazoles / chemistry*
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Thiophenes / chemistry*
Substances
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Purinergic P1 Receptor Antagonists
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Receptor, Adenosine A1
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Receptor, Adenosine A3
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Receptors, Adenosine A2
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Receptors, Purinergic P1
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Thiazoles
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Thiophenes