Focused On-demand Library for Casein kinase II subunit alpha

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We use our state-of-the-art dedicated workflow for designing focused 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

P68400

UPID:

CSK21_HUMAN

Alternative names:

Alternative UPACC:

P68400; B4DYS6; D3DVV8; P19138; P20426; Q14013; Q5U065

Background:

Casein kinase II subunit alpha is a pivotal component of a serine/threonine-protein kinase complex, involved in phosphorylating substrates with acidic residues. It plays a crucial role in various cellular processes including cell cycle progression, apoptosis, transcription, and response to viral infection. Its activity affects numerous signaling pathways and transcription factors, highlighting its importance in cellular regulation and response mechanisms.

Therapeutic significance:

The protein's involvement in Okur-Chung neurodevelopmental syndrome, due to gene variants, underscores its potential as a target for therapeutic intervention. Understanding the role of Casein kinase II subunit alpha could open doors to potential therapeutic strategies, offering hope for treating this and possibly other related disorders.