Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8NHY0
UPID:
B4GN2_HUMAN
Alternative names:
Sd(a) beta-1,4-GalNAc transferase; UDP-GalNAc:Neu5Aca2-3Galb-R b1,4-N-acetylgalactosaminyltransferase
Alternative UPACC:
Q8NHY0; B4DZE4; Q14CP1; Q86Y40
Background:
Beta-1,4 N-acetylgalactosaminyltransferase 2, also known as Sd(a) beta-1,4-GalNAc transferase, plays a crucial role in synthesizing the Sd(a) antigen. This antigen is a carbohydrate determinant found on erythrocytes, colonic mucosa, and other tissues, involving the transfer of a beta-1,4-linked GalNAc to the galactose residue of an alpha-2,3-sialylated chain.
Therapeutic significance:
The protein's involvement in Sd(a) polyagglutination syndrome, a condition marked by red blood cells agglutination, highlights its potential as a target for therapeutic intervention. Understanding the role of Beta-1,4 N-acetylgalactosaminyltransferase 2 could open doors to potential therapeutic strategies.