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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We use our state-of-the-art dedicated workflow for designing 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P18089

UPID:
ADA2B_HUMAN

ALTERNATIVE NAMES:
Alpha-2 adrenergic receptor subtype C2; Alpha-2B adrenoreceptor

ALTERNATIVE UPACC:
P18089; A2RUS0; Q4TUH9; Q53RF2; Q9BZK0

BACKGROUND:
The Alpha-2B adrenergic receptor, identified by its alternative names Alpha-2 adrenergic receptor subtype C2 and Alpha-2B adrenoreceptor, is crucial for the catecholamine-induced inhibition of adenylate cyclase through G protein action. Its interaction with agonists and antagonists follows a specific rank order, highlighting its selective binding properties.

THERAPEUTIC SIGNIFICANCE:
Given its association with familial adult myoclonic epilepsy 2 (FAME2), the therapeutic significance of the Alpha-2B adrenergic receptor is evident. Exploring its function offers a promising avenue for developing targeted therapies for epilepsy and enhancing our understanding of neurologic disorders.

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