Focused On-demand Library for Adenosine receptor A2a

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P29274

UPID:
AA2AR_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P29274; B2R7E0

BACKGROUND:
Adenosine receptor A2a, identified by the unique identifier P29274, is integral to adenosine-mediated cellular communication. By similarity, it is known to bind adenosine, leading to the activation of adenylyl cyclase via G proteins. This receptor's function underscores its importance in the regulation of intracellular signaling cascades.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Adenosine receptor A2a paves the way for innovative therapeutic interventions. Given its central role in adenosine signaling, targeting this receptor could yield novel treatments, harnessing its mechanism for beneficial outcomes in disease management.

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