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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y644
UPID:
RFNG_HUMAN
Alternative names:
O-fucosylpeptide 3-beta-N-acetylglucosaminyltransferase
Alternative UPACC:
Q9Y644; O00588
Background:
Beta-1,3-N-acetylglucosaminyltransferase radical fringe, also known as O-fucosylpeptide 3-beta-N-acetylglucosaminyltransferase, plays a pivotal role in the post-translational modification of Notch molecules. It specifically initiates the elongation of O-linked fucose residues on EGF-like repeats in the extracellular domain, crucially modulating NOTCH1 activity by enhancing its activation through interactions with DLL1 and JAG1. This enzyme's function is integral to processes such as limb formation and neurogenesis.
Therapeutic significance:
Understanding the role of Beta-1,3-N-acetylglucosaminyltransferase radical fringe could open doors to potential therapeutic strategies.