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

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.