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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P46019

UPID:

KPB2_HUMAN

Alternative names:

Alternative UPACC:

P46019; A8K1T1; Q6LAJ5; Q7Z6W0; Q96CR3; Q9UDA1

Background:

Phosphorylase b kinase regulatory subunit alpha, liver isoform, encoded by the gene with accession number P46019, plays a crucial role in glycogen metabolism. It catalyzes the phosphorylation of serine in substrates such as troponin I and may interact with calmodulin. This protein's activity is essential for the proper functioning of liver and muscle tissues.

Therapeutic significance:

Glycogen storage disease 9A, a metabolic disorder characterized by mild liver glycogenosis and various clinical symptoms, is linked to mutations affecting this protein. Understanding the role of Phosphorylase b kinase regulatory subunit alpha could open doors to potential therapeutic strategies, offering hope for patients suffering from this condition.