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.


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 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P55786

UPID:
PSA_HUMAN

ALTERNATIVE NAMES:
Cytosol alanyl aminopeptidase

ALTERNATIVE UPACC:
P55786; B7Z463; Q6P145; Q9NP16; Q9UEM2

BACKGROUND:
The enzyme Puromycin-sensitive aminopeptidase, alternatively known as Cytosol alanyl aminopeptidase, is integral to cellular proteolysis, essential for maintaining cell growth and health. It serves as a regulator for neuropeptide functions and is involved in the N-terminal trimming of cytotoxic T-cell epitope precursors. Its efficiency in digesting tau proteins varies significantly between normal and Alzheimer's disease-affected brains, highlighting its specificity and potential importance in neurodegenerative disease pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Puromycin-sensitive aminopeptidase offers a promising avenue for developing novel therapeutic approaches.

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