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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q8TE99

UPID:
PXYP1_HUMAN

ALTERNATIVE NAMES:
Acid phosphatase-like protein 2; Xylosyl phosphatase; epididymis luminal protein 124

ALTERNATIVE UPACC:
Q8TE99; D3DNF5; Q49AJ2; W0TR04

BACKGROUND:
The enzyme 2-phosphoxylose phosphatase 1, known under alternative names such as Acid phosphatase-like protein 2 and Xylosyl phosphatase, is pivotal in the formation of mature glycosaminoglycan (GAG) chains. It achieves this by dephosphorylating xylose in the GAG-protein linkage region, facilitating the initiation and efficient elongation of GAG chains. These chains, found in heparan sulfate and chondroitin sulfate, are crucial for cell signaling and extracellular matrix organization.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of 2-phosphoxylose phosphatase 1 offers a promising avenue for the development of novel therapeutic approaches.

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