Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


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
P10826

UPID:
RARB_HUMAN

ALTERNATIVE NAMES:
HBV-activated protein; Nuclear receptor subfamily 1 group B member 2; RAR-epsilon

ALTERNATIVE UPACC:
P10826; P12891; Q00989; Q15298; Q9UN48

BACKGROUND:
The Retinoic acid receptor beta, known alternatively as HBV-activated protein or RAR-epsilon, is a crucial component of the retinoic acid signaling mechanism. It acts mainly as an activator of gene expression, influencing various biological processes through its interaction with retinoic acid response elements. Its activity is essential for skeletal growth and matrix homeostasis.

THERAPEUTIC SIGNIFICANCE:
Linked to the development of Microphthalmia, syndromic, 12, RAR-beta's involvement in eye formation and systemic abnormalities highlights its potential as a therapeutic target. Exploring RAR-beta's functions could lead to innovative treatments for these complex conditions.

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