Focused On-demand Library for Proteasome subunit beta type-11

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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.


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
A5LHX3

UPID:
PSB11_HUMAN

ALTERNATIVE NAMES:
Proteasome subunit beta-5t

ALTERNATIVE UPACC:
A5LHX3

BACKGROUND:
Proteasome subunit beta type-11, alternatively named Proteasome subunit beta-5t, plays a key role in the proteasome, a protein complex responsible for ATP-dependent proteolytic activity. This subunit specifically influences the complex's ability to break down peptides containing Arg, Phe, Tyr, Leu, and Glu, thereby regulating protein degradation and maintaining cellular protein balance.

THERAPEUTIC SIGNIFICANCE:
The exploration of Proteasome subunit beta type-11's function offers promising avenues for drug discovery. Given its significant role in CD8-positive T cell development, targeting this protein could lead to innovative treatments in immunology and cancer therapy.

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