Focused On-demand Library for Xylosyltransferase 1

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.


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


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted 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
Q86Y38

UPID:
XYLT1_HUMAN

ALTERNATIVE NAMES:
Peptide O-xylosyltransferase 1; Xylosyltransferase I

ALTERNATIVE UPACC:
Q86Y38; Q9H1B6

BACKGROUND:
Xylosyltransferase 1 catalyzes the initial step in creating chondroitin sulfate and dermatan sulfate proteoglycans, vital for bone development and chondrocyte maturation. This enzyme's activity is essential for the proper development of the embryonic and postnatal skeleton.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Xylosyltransferase 1 could open doors to potential therapeutic strategies for diseases like Desbuquois dysplasia 2 and Pseudoxanthoma elasticum, where it plays a significant role. Exploring its function further could lead to breakthroughs in treating these skeletal and vascular disorders.

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