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What are the specific molecular mechanisms by which caffeine binds to and antagonizes adenosine receptors? 


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Caffeine binds to and antagonizes adenosine receptors through specific molecular mechanisms. The binding mechanism of caffeine to the human adenosine A2A receptor (A2AAR) involves the formation of a characteristic hydrogen bond between caffeine and residue N6.55 in the receptor . Additionally, a low-energy intermediate binding conformation of caffeine was found at the extracellular mouth of the receptor between ECL2 and TM1 . Caffeine shows intermolecular interaction preferences that combine both hydrogen bonding and stacking interactions, similar to the interactions occurring within the A2A adenosine receptor . Molecular simulation studies have identified hydrogen bond formation between caffeine and amino acid residues involved in interactions with adenosine, suggesting that caffeine blocks the atomic groups of the adenosine receptors responsible for adenosine interactions . These molecular mechanisms contribute to caffeine's antagonistic effects on adenosine receptors.

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The specific molecular mechanisms by which caffeine binds to and antagonizes adenosine receptors are not mentioned in the provided paper.
The paper suggests that caffeine forms hydrogen bonds with amino acid residues involved in interactions with adenosine, blocking the atomic groups responsible for adenosine interactions.
The paper explains that caffeine inhibits A2A receptors, but it does not provide specific details on the molecular mechanisms by which caffeine binds to and antagonizes adenosine receptors.
The specific molecular mechanisms by which caffeine binds to and antagonizes adenosine receptors are not mentioned in the provided paper.

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