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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8N428
UPID:
GLT16_HUMAN
Alternative names:
Polypeptide GalNAc transferase 16; Polypeptide GalNAc transferase-like protein 1; Polypeptide N-acetylgalactosaminyltransferase-like protein 1; Protein-UDP acetylgalactosaminyltransferase-like protein 1; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase-like protein 1
Alternative UPACC:
Q8N428; Q4KMG3; Q58A55; Q9ULT9
Background:
Polypeptide N-acetylgalactosaminyltransferase 16, known by alternative names such as Polypeptide GalNAc transferase 16 and UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase-like protein 1, 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 initial reaction in the synthesis process.
Therapeutic significance:
Understanding the role of Polypeptide N-acetylgalactosaminyltransferase 16 could open doors to potential therapeutic strategies.