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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of 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
P28702

UPID:
RXRB_HUMAN

ALTERNATIVE NAMES:
Nuclear receptor subfamily 2 group B member 2; Retinoid X receptor beta

ALTERNATIVE UPACC:
P28702; P28703; Q59G65; Q5JP92; Q5STQ1

BACKGROUND:
Retinoic acid receptor RXR-beta, alternatively known as Retinoid X receptor beta, is crucial for retinoic acid signal transduction. By forming heterodimers with RAR, it binds to retinoic acid response elements (RARE) to modulate gene expression, influencing a myriad of biological functions.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Retinoic acid receptor RXR-beta unveils potential pathways for therapeutic intervention. Its central role in retinoic acid-mediated gene expression makes it a promising target for developing treatments that harness its regulatory capabilities.

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