Focused On-demand Library for Tumor necrosis factor alpha-induced protein 3

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 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.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P21580

UPID:
TNAP3_HUMAN

ALTERNATIVE NAMES:
OTU domain-containing protein 7C; Putative DNA-binding protein A20; Zinc finger protein A20

ALTERNATIVE UPACC:
P21580; B2R767; E1P588; Q2HIX9; Q5VXQ7; Q9NSR6

BACKGROUND:
The protein A20, with alternative names such as OTU domain-containing protein 7C and Zinc finger protein A20, is integral to immune and inflammatory responses. It functions by editing ubiquitin, a post-translational modification critical for various cellular processes. A20's unique ability to both add and remove ubiquitin modifications allows it to finely tune the NF-kappa-B signaling pathway, playing a key role in preventing prolonged inflammation and immune dysregulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tumor necrosis factor alpha-induced protein 3 could open doors to potential therapeutic strategies. Its direct association with familial autoinflammatory syndrome underscores the importance of A20 in human health and disease, offering a valuable target for drug development aimed at treating inflammatory and autoimmune conditions.

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