Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We utilise our cutting-edge, exclusive workflow to develop 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
O43505
UPID:
B4GA1_HUMAN
Alternative names:
I-beta-1,3-N-acetylglucosaminyltransferase; N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase; Poly-N-acetyllactosamine extension enzyme; UDP-GlcNAc:betaGal beta-1,3-N-acetylglucosaminyltransferase 1
Alternative UPACC:
O43505; Q4TTN0
Background:
Beta-1,4-glucuronyltransferase 1, also known as I-beta-1,3-N-acetylglucosaminyltransferase, plays a crucial role in the O-mannosylation of alpha-dystroglycan, a process vital for the proper functioning of muscle and brain tissues. This enzyme facilitates the transfer of glucuronic acid onto a xylose acceptor, initiating the synthesis of phosphorylated O-mannosyl glycan, essential for binding extracellular proteins with high affinity.
Therapeutic significance:
Given its pivotal role in the development of Muscular dystrophy-dystroglycanopathy congenital with brain and eye anomalies A13, a disorder marked by severe muscular dystrophy and brain anomalies, Beta-1,4-glucuronyltransferase 1 represents a promising target for therapeutic intervention. Understanding the enzyme's function could lead to breakthrough treatments for this debilitating condition.