Focused On-demand Library for Tumor necrosis factor receptor superfamily member 11A

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9Y6Q6

UPID:
TNR11_HUMAN

ALTERNATIVE NAMES:
Osteoclast differentiation factor receptor; Receptor activator of NF-KB

ALTERNATIVE UPACC:
Q9Y6Q6; I4EC36; I4EC38; I4EC39; I7JE63; N0GVH0; Q59EP9

BACKGROUND:
The protein Tumor necrosis factor receptor superfamily member 11A, with alternative names such as osteoclast differentiation factor receptor and receptor activator of NF-KB, is essential for bone health and immune responses. It binds to TNFSF11/RANKL/TRANCE/OPGL, facilitating osteoclastogenesis, which is vital for bone remodeling. Additionally, it plays a role in T-cell and dendritic cell interactions, underlining its importance in immune regulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tumor necrosis factor receptor superfamily member 11A could open doors to potential therapeutic strategies for treating bone-related diseases like Familial expansile osteolysis, early-onset Paget disease of bone 2, and autosomal recessive osteopetrosis 7. Its critical function in bone remodeling and immune system interactions makes it a promising target for drug discovery.

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