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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q16851
UPID:
UGPA_HUMAN
Alternative names:
UDP-glucose pyrophosphorylase
Alternative UPACC:
Q16851; Q07131; Q0P6K2; Q86Y81; Q9BU15
Background:
UTP--glucose-1-phosphate uridylyltransferase, also known as UDP-glucose pyrophosphorylase, plays a pivotal role in the biosynthesis of glycogen by catalyzing the conversion of glucose-1-phosphate into UDP-glucose. This enzyme's activity is crucial for maintaining energy storage and glucose homeostasis in cells.
Therapeutic significance:
The enzyme's link to Developmental and epileptic encephalopathy 83 (DEE83) underscores its therapeutic significance. Variants affecting the gene encoding this protein lead to severe neurological conditions, highlighting the enzyme as a potential target for therapeutic intervention to alleviate symptoms or modify disease progression in DEE83.