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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop focused 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q9NY28

UPID:
GALT8_HUMAN

ALTERNATIVE NAMES:
Polypeptide GalNAc transferase 8; Protein-UDP acetylgalactosaminyltransferase 8; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 8

ALTERNATIVE UPACC:
Q9NY28; B2RU02

BACKGROUND:
The enzyme UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 8 is essential for initiating O-linked oligosaccharide biosynthesis. This process involves the attachment of N-acetyl-D-galactosamine to serine or threonine on target proteins, a fundamental step for protein function and signaling.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 8 holds promise for uncovering new therapeutic avenues. Its critical role in protein modification processes positions it as a potential target in the development of treatments for diseases linked to glycosylation abnormalities.

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