Focused On-demand Library for Casein kinase II subunit beta

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for enzymes.

Fig. 1. The sreening 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.