Focused On-demand Library for Casein kinase II subunit beta

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.

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 our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

P67870

UPID:

CSK2B_HUMAN

Alternative names:

Phosvitin; Protein G5a

Alternative UPACC:

P67870; B0UXA9; P07312; P13862; Q4VX47

Background:

Casein kinase II subunit beta, also known as Phosvitin and Protein G5a, plays a crucial role in cellular processes. It acts as a regulatory subunit in the casein kinase II complex, influencing the kinase's basal catalytic activity. This protein is involved in phosphorylating substrates and participates in Wnt signaling, highlighting its importance in cell signaling pathways.

Therapeutic significance:

The protein is linked to Poirier-Bienvenu neurodevelopmental syndrome, a disorder marked by seizures, developmental delay, and impaired intellectual development. Understanding the role of Casein kinase II subunit beta could open doors to potential therapeutic strategies for this syndrome.