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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening 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:
partner
Reaxense
upacc
Q8NCR0
UPID:
B3GL2_HUMAN
Alternative names:
Beta-1,3-N-acetylgalactosaminyltransferase II
Alternative UPACC:
Q8NCR0; Q59GR3; Q5TCI3; Q96AL7
Background:
UDP-GalNAc:beta-1,3-N-acetylgalactosaminyltransferase 2, also known as Beta-1,3-N-acetylgalactosaminyltransferase II, plays a crucial role in the synthesis of unique carbohydrate structures on glycoproteins. It is specifically involved in the glycosylation of alpha-dystroglycan, a process essential for the binding of extracellular proteins with high affinity.
Therapeutic significance:
The protein's malfunction is linked to Muscular dystrophy-dystroglycanopathy congenital with brain and eye anomalies A11, a severe disorder leading to early life fatality. Understanding its function could pave the way for novel therapeutic approaches targeting these debilitating conditions.