Focused On-demand Library for Phosphorylase b kinase regulatory subunit alpha, liver isoform

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Receptor.AI
 
UPACC
P46019

UPID:
KPB2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P46019; A8K1T1; Q6LAJ5; Q7Z6W0; Q96CR3; Q9UDA1

BACKGROUND:
The Phosphorylase b kinase regulatory subunit alpha, liver isoform, identified by UPACC P46019, is pivotal in the phosphorylation process of serine residues in key proteins like troponin I. Its interaction with calmodulin highlights its significance in cellular processes, particularly in energy metabolism and muscle contraction.

THERAPEUTIC SIGNIFICANCE:
Linked to Glycogen storage disease 9A, a disorder with symptoms including hepatomegaly and muscle weakness, this protein's dysfunction underscores the importance of targeted research. Exploring the functions of Phosphorylase b kinase regulatory subunit alpha could lead to breakthroughs in treatment modalities for metabolic diseases.

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