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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UBQ6
UPID:
EXTL2_HUMAN
Alternative names:
Alpha-1,4-N-acetylhexosaminyltransferase EXTL2; Alpha-GalNAcT EXTL2; EXT-related protein 2; Glucuronyl-galactosyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase
Alternative UPACC:
Q9UBQ6; B2R795; D3DT60
Background:
Exostosin-like 2, known by its alternative names such as Alpha-1,4-N-acetylhexosaminyltransferase EXTL2 and Glucuronyl-galactosyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase, plays a crucial role in the biosynthesis of heparan-sulfate. This glycosyltransferase is responsible for the alternating addition of beta-1-4-linked glucuronic acid (GlcA) and alpha-1-4-linked N-acetylglucosamine (GlcNAc) units, essential for the formation of nascent heparan sulfate chains.
Therapeutic significance:
Understanding the role of Exostosin-like 2 could open doors to potential therapeutic strategies.