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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


We use our state-of-the-art dedicated workflow for designing 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
Q9BZ11

UPID:
ADA33_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9BZ11; A0A1K6; Q5JT75; Q5JT76; Q8N0W6

BACKGROUND:
The protein Disintegrin and metalloproteinase domain-containing protein 33, identified by the accession Q9BZ11, is involved in critical cellular functions. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry, particularly in understanding its regulatory mechanisms.

THERAPEUTIC SIGNIFICANCE:
Asthma, a prevalent chronic condition, is associated with Disintegrin and metalloproteinase domain-containing protein 33. Exploring the protein's function offers a promising avenue for developing novel therapeutic approaches, as genetic variations in this protein are linked to asthma susceptibility.

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.