Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening 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:
partner
Reaxense
upacc
Q49A17
UPID:
GLTL6_HUMAN
Alternative names:
Polypeptide GalNAc transferase 17; Protein-UDP acetylgalactosaminyltransferase 17; Putative polypeptide N-acetylgalactosaminyltransferase 17; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 17
Alternative UPACC:
Q49A17; Q2L4S6
Background:
Polypeptide N-acetylgalactosaminyltransferase-like 6, also known by alternative names such as Polypeptide GalNAc transferase 17, plays a crucial role in the biosynthesis of O-linked oligosaccharides. It catalyzes the transfer of an N-acetyl-D-galactosamine residue to serine or threonine residues on protein receptors, a pivotal step in the post-translational modification of proteins.
Therapeutic significance:
Understanding the role of Polypeptide N-acetylgalactosaminyltransferase-like 6 could open doors to potential therapeutic strategies. Its involvement in the initial stages of oligosaccharide biosynthesis makes it a compelling target for the development of novel treatments.