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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 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
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.