Focused On-demand Library for Phosphorylase b kinase gamma catalytic chain, liver/testis isoform

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P15735

UPID:

PHKG2_HUMAN

Alternative names:

PSK-C3; Phosphorylase kinase subunit gamma-2

Alternative UPACC:

P15735; A8K0C7; B4DEB7; E9PEU3; P11800

Background:

The Phosphorylase b kinase gamma catalytic chain, liver/testis isoform, known as PSK-C3 or Phosphorylase kinase subunit gamma-2, plays a pivotal role in glycogen metabolism. It acts as the catalytic subunit of the phosphorylase b kinase (PHK), crucial for the neural and hormonal regulation of glycogen breakdown through the phosphorylation and activation of glycogen phosphorylase. This process is essential for energy release in cells.

Therapeutic significance:

Glycogen storage disease 9C, a metabolic disorder linked to mutations in the gene encoding this protein, highlights its clinical importance. The disease manifests with hepatomegaly, growth retardation, and liver dysfunction, among other symptoms. Understanding the role of Phosphorylase b kinase gamma catalytic chain could open doors to potential therapeutic strategies for managing this condition and possibly other glycogen storage diseases.