Focused On-demand Library for Glycogen phosphorylase, liver form

Focused On-demand Libraries - Receptor.AI Collaboration


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.


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 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 screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
P06737

UPID:
PYGL_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P06737; A6NDQ4; B4DUB7; F5H816; O60567; O60752; O60913; Q501V9; Q641R5; Q96G82

BACKGROUND:
The enzyme Glycogen phosphorylase, liver form, plays a central role in glucose homeostasis by catalyzing the rate-limiting step in glycogen breakdown. This process is essential for the regulated release of glucose-1-phosphate from glycogen stores.

THERAPEUTIC SIGNIFICANCE:
Mutations in the gene encoding this enzyme are responsible for Glycogen storage disease 6, characterized by mild to moderate hypoglycemia and hepatomegaly. Exploring the enzyme's function offers a pathway to innovative treatments for this and potentially other metabolic diseases.

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