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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Q9BT73

UPID:
PSMG3_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9BT73; A4D216; A8MPW2

BACKGROUND:
The Proteasome Assembly Chaperone 3, identified by the accession number Q9BT73, is instrumental in the formation of the 20S proteasome. This chaperone protein works closely with PSMG1-PSMG2 heterodimers to facilitate the correct assembly of the proteasome complex, an essential process for protein degradation and turnover in the cell. The integrity of this process is vital for cellular health and function.

THERAPEUTIC SIGNIFICANCE:
The exploration of Proteasome Assembly Chaperone 3's function offers a promising avenue for the development of novel therapeutic approaches. Given its significant role in the assembly of the proteasome, targeting PAC3 could provide a strategic method to influence the ubiquitin-proteasome pathway, which is crucial in the regulation of protein levels and cellular health.

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