Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P46020
UPID:
KPB1_HUMAN
Alternative names:
-
Alternative UPACC:
P46020; B7ZL05; B7ZL07; Q2M3D7
Background:
Phosphorylase b kinase regulatory subunit alpha, skeletal muscle isoform, encoded by the gene with accession number P46020, plays a crucial role in muscle metabolism. It catalyzes the phosphorylation of serine in substrates like troponin I and may interact with calmodulin, indicating its pivotal role in muscle contraction and energy mobilization.
Therapeutic significance:
Linked to Glycogen storage disease 9D, a metabolic disorder marked by muscle weakness and atrophy, this protein's dysfunction underscores its potential as a target for therapeutic intervention. Understanding its role could pave the way for innovative treatments for metabolic muscle diseases.