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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O15305
UPID:
PMM2_HUMAN
Alternative names:
-
Alternative UPACC:
O15305; A8K672; B7Z6R0; D3DUF3
Background:
Phosphomannomutase 2 (PMM2) plays a pivotal role in the synthesis of GDP-mannose and dolichol-phosphate-mannose, essential for numerous mannosyl transfer reactions. These reactions are crucial for proper glycoprotein biosynthesis, impacting a wide array of cellular functions and developmental processes.
Therapeutic significance:
PMM2's dysfunction is linked to Congenital disorder of glycosylation 1A (CDG1A), a severe condition marked by encephalopathy, psychomotor retardation, and other systemic manifestations. Understanding the role of Phosphomannomutase 2 could open doors to potential therapeutic strategies for CDG1A and related glycosylation disorders.