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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P07738
UPID:
PMGE_HUMAN
Alternative names:
2,3-bisphosphoglycerate mutase, erythrocyte; 2,3-bisphosphoglycerate synthase; 2,3-diphosphoglycerate mutase; BPG-dependent PGAM
Alternative UPACC:
P07738; A4D1N9
Background:
Bisphosphoglycerate mutase, known for its pivotal role in regulating hemoglobin oxygen affinity, controls the levels of 2,3-bisphosphoglycerate (2,3-BPG). This enzyme not only facilitates oxygen release to tissues by modulating hemoglobin's oxygen-binding capacity but also exhibits mutase activity, crucial for erythrocyte function.
Therapeutic significance:
The enzyme's mutation leads to Erythrocytosis, familial, 8, characterized by hemolytic anemia and splenomegaly. Understanding the role of Bisphosphoglycerate mutase could open doors to potential therapeutic strategies for managing this autosomal recessive disorder.