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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P18669
UPID:
PGAM1_HUMAN
Alternative names:
BPG-dependent PGAM 1; Phosphoglycerate mutase isozyme B
Alternative UPACC:
P18669; Q9BWC0
Background:
Phosphoglycerate mutase 1 (PGAM1), also known as BPG-dependent PGAM 1 and Phosphoglycerate mutase isozyme B, plays a pivotal role in glycolysis. It catalyzes the conversion of 2-phosphoglycerate to 3-phosphoglycerate, a critical step in the metabolic pathway that generates energy in cells. This enzyme's activity is essential for efficient energy production, especially in tissues with high metabolic demands.
Therapeutic significance:
Understanding the role of Phosphoglycerate mutase 1 could open doors to potential therapeutic strategies. Its crucial function in energy metabolism makes it a potential target for conditions characterized by altered energy production or consumption.