Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8TDX6
UPID:
CGAT1_HUMAN
Alternative names:
Chondroitin beta-1,4-N-acetylgalactosaminyltransferase 1
Alternative UPACC:
Q8TDX6; B2RBE4; Q6P9G6; Q8IUF9; Q9NSQ7; Q9NUM9
Background:
Chondroitin sulfate N-acetylgalactosaminyltransferase 1, also known as Chondroitin beta-1,4-N-acetylgalactosaminyltransferase 1, plays a pivotal role in cartilage formation and endochondral ossification. It is essential for the biosynthesis of chondroitin chains, transferring GalNAc to glucuronic acid, crucial for skeletal development.
Therapeutic significance:
Linked to Skeletal dysplasia, mild, with joint laxity and advanced bone age, understanding the role of Chondroitin sulfate N-acetylgalactosaminyltransferase 1 could open doors to potential therapeutic strategies for skeletal disorders.