Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P11216
UPID:
PYGB_HUMAN
Alternative names:
-
Alternative UPACC:
P11216; Q96AK1; Q9NPX8
Background:
Glycogen phosphorylase, brain form, identified by the accession number P11216, plays a pivotal role in glycogen mobilization, as highlighted in recent studies (PubMed:27402852). This enzyme is a key player in carbohydrate metabolism, acting as an important allosteric enzyme (PubMed:3346228). Despite variations in regulatory mechanisms and natural substrates across different sources, all phosphorylases share common catalytic and structural properties (PubMed:3346228), underscoring the enzyme's fundamental role in energy regulation.
Therapeutic significance:
Understanding the role of Glycogen phosphorylase, brain form, could open doors to potential therapeutic strategies. Its central function in glycogen mobilization and carbohydrate metabolism positions it as a potential target for interventions in metabolic disorders.