Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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
O95394
UPID:
AGM1_HUMAN
Alternative names:
Acetylglucosamine phosphomutase; N-acetylglucosamine-phosphate mutase; Phosphoglucomutase-3
Alternative UPACC:
O95394; B2RB65; B4DX94; D6RF12; E1P547; E9PF86; Q5JWR4; Q96J46; Q9H8G5; Q9NS94; Q9NTT6; Q9UFV5; Q9UIY2
Background:
Phosphoacetylglucosamine mutase, also known as Acetylglucosamine phosphomutase, plays a pivotal role in the synthesis of UDP-GlcNAc, a crucial sugar nucleotide for glycosylation processes. This enzyme catalyzes the transformation of GlcNAc-6-P to GlcNAc-1-P, facilitating protein N- and O-glycosylation, essential for proper cellular function.
Therapeutic significance:
Linked to Immunodeficiency 23, characterized by recurrent infections, severe atopy, and cognitive challenges, this protein's dysfunction underscores its therapeutic potential. Understanding its role could unveil novel strategies for treating this primary immunodeficiency syndrome.