Focused On-demand Library for Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q16816

UPID:
PHKG1_HUMAN

ALTERNATIVE NAMES:
Phosphorylase kinase subunit gamma-1; Serine/threonine-protein kinase PHKG1

ALTERNATIVE UPACC:
Q16816; B7Z1D0; F5H2S1; Q75LP5

BACKGROUND:
Phosphorylase kinase subunit gamma-1, alternatively known as Serine/threonine-protein kinase PHKG1, is the catalytic subunit of the phosphorylase b kinase (PHK). It is instrumental in the neural and hormonal regulation of glycogenolysis by phosphorylating glycogen phosphorylase to activate it. The protein's in vitro phosphorylation targets include PYGM, TNNI3, MAPT/TAU, GAP43, and NRGN/RC3, highlighting its significant role in glycogen breakdown and signaling pathways.

THERAPEUTIC SIGNIFICANCE:
The exploration of Phosphorylase kinase subunit gamma-1's function offers a promising avenue for developing novel therapeutic approaches. Given its crucial role in regulating glycogen metabolism, targeting this protein could lead to breakthroughs in treating metabolic diseases and improving cardiac and skeletal muscle health.

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