Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


Our top-notch dedicated system is used to design specialised 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
Q9Y3Q0

UPID:
NALD2_HUMAN

ALTERNATIVE NAMES:
Glutamate carboxypeptidase III; N-acetylated-alpha-linked acidic dipeptidase II

ALTERNATIVE UPACC:
Q9Y3Q0; B3KQR4; Q4KKV4; Q4VAM9

BACKGROUND:
The enzyme N-acetylated-alpha-linked acidic dipeptidase 2, with alternative names Glutamate carboxypeptidase III and N-acetylated-alpha-linked acidic dipeptidase II, is pivotal in neurotransmitter regulation. It possesses NAALADase and dipeptidyl-peptidase IV activities, essential for deactivating N-acetylaspartylglutamate.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of N-acetylated-alpha-linked acidic dipeptidase 2 holds promise for unveiling novel therapeutic avenues.

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.