Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 43

Details

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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q70EL4

UPID:
UBP43_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 43; Ubiquitin thioesterase 43; Ubiquitin-specific-processing protease 43

ALTERNATIVE UPACC:
Q70EL4; A6NDT9; B7ZLT9; B7ZVX5; Q8N2C5; Q96DQ6

BACKGROUND:
Ubiquitin-specific-processing protease 43, with alternative names such as Ubiquitin thioesterase 43, is essential for the hydrolysis of ubiquitin from ubiquitinated proteins. This action is critical for the proper functioning of the ubiquitin-proteasome system, which regulates protein turnover and quality control within the cell.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin-specific-processing protease 43 offers a promising avenue for the development of novel therapeutic approaches. By targeting this enzyme, researchers aim to influence ubiquitin-dependent pathways, potentially leading to breakthrough treatments for diseases where protein homeostasis is disrupted.

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.