Focused On-demand Library for Probable ubiquitin carboxyl-terminal hydrolase FAF-X

Details

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q93008

UPID:
USP9X_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme FAF-X; Fat facets in mammals; Fat facets protein-related, X-linked; Ubiquitin thioesterase FAF-X; Ubiquitin-specific protease 9, X chromosome; Ubiquitin-specific-processing protease FAF-X

ALTERNATIVE UPACC:
Q93008; O75550; Q8WWT3; Q8WX12

BACKGROUND:
The enzyme FAF-X, known for its deubiquitinating function, is essential in processing ubiquitin precursors and ubiquitinated proteins. This activity is crucial for maintaining protein homeostasis, regulating protein degradation, and ensuring proper cellular function. FAF-X's involvement in key signaling pathways, such as TGF-beta/BMP and mTORC2, as well as its role in DNA repair, neuronal development, and cell cycle regulation, underscores its importance in cellular physiology.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in intellectual developmental disorders, X-linked 99, and related syndromic conditions, targeting Probable ubiquitin carboxyl-terminal hydrolase FAF-X presents a promising avenue for developing novel treatments for these genetic disorders. The enzyme's broad regulatory functions suggest that modulating its activity could have therapeutic benefits.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.