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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q10472
UPID:
GALT1_HUMAN
Alternative names:
Polypeptide GalNAc transferase 1; Protein-UDP acetylgalactosaminyltransferase 1; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 1
Alternative UPACC:
Q10472; Q86TJ7; Q9UM86
Background:
Polypeptide N-acetylgalactosaminyltransferase 1, also known as Polypeptide GalNAc transferase 1 or UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 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. This enzyme has a broad spectrum of substrates, including peptides derived from apomucin, MUC5AC, MUC1, and MUC2.
Therapeutic significance:
Understanding the role of Polypeptide N-acetylgalactosaminyltransferase 1 could open doors to potential therapeutic strategies.