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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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
P00558
UPID:
PGK1_HUMAN
Alternative names:
Cell migration-inducing gene 10 protein; Primer recognition protein 2
Alternative UPACC:
P00558; A8K4W6; B7Z7A9; Q5J7W1; Q6IBT6; Q8NI87
Background:
Phosphoglycerate kinase 1 (PGK-1) is a pivotal enzyme in the glycolytic pathway, facilitating the conversion of 1,3-diphosphoglycerate to 3-phosphoglycerate. Beyond its glycolytic function, PGK-1 also plays roles in DNA replication as a polymerase alpha cofactor and in sperm motility, highlighting its diverse biological significance.
Therapeutic significance:
PGK-1 deficiency, a condition marked by hemolytic anemia, rhabdomyolysis, myopathy, and neurologic symptoms, underscores the enzyme's critical role in human health. Targeting PGK-1 pathways offers a promising avenue for therapeutic intervention in this multifaceted disease.