Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P34972

UPID:
CNR2_HUMAN

ALTERNATIVE NAMES:
CX5

ALTERNATIVE UPACC:
P34972; C6ES44; Q4VBK8; Q5JRH7; Q6B0G7; Q6NSY0

BACKGROUND:
The Cannabinoid receptor 2, also known as CX5, is integral to the endocannabinoid system. It functions as a receptor for the endocannabinoid 2-arachidonoylglycerol, mediating crucial physiological responses by inhibiting adenylate cyclase. This receptor is involved in key processes such as inflammatory response, pain perception, and the maintenance of bone health.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions and mechanisms of Cannabinoid receptor 2 offers promising avenues for therapeutic intervention. Given its central role in inflammation, pain, and bone homeostasis, targeting CX5 could lead to breakthroughs in treating related conditions and improving patient outcomes.

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