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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O94923
UPID:
GLCE_HUMAN
Alternative names:
Heparan sulfate C5-epimerase; Heparin/heparan sulfate:glucuronic acid C5-epimerase; Heparosan-N-sulfate-glucuronate 5-epimerase
Alternative UPACC:
O94923; Q6GUQ2
Background:
D-glucuronyl C5-epimerase, also known as Heparan sulfate C5-epimerase, plays a crucial role in the conversion of D-glucuronic acid residues to L-iduronic acid residues in heparan sulfate and heparin chains. This enzymatic process is vital for the maturation of these glycosaminoglycans, which are key components of the extracellular matrix and cell surfaces.
Therapeutic significance:
Understanding the role of D-glucuronyl C5-epimerase could open doors to potential therapeutic strategies. Its involvement in the biosynthesis and modification of heparan sulfate and heparin suggests its potential impact on various biological processes and diseases.