Focused On-demand Library for Casein kinase I isoform delta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P48730

UPID:

KC1D_HUMAN

Alternative names:

Tau-protein kinase CSNK1D

Alternative UPACC:

P48730; A2I2P2; Q96KZ6; Q9BTN5

Background:

Casein kinase I isoform delta, also known as Tau-protein kinase CSNK1D, is a pivotal serine/threonine-protein kinase with a broad spectrum of cellular targets. It plays a crucial role in various cellular processes including Wnt signaling, DNA repair, and circadian rhythms. This kinase is known for its ability to phosphorylate a wide array of proteins, influencing their function, stability, and interaction with other cellular components.

Therapeutic significance:

The involvement of Casein kinase I isoform delta in familial Advanced sleep phase syndrome, 2, highlights its therapeutic potential. Understanding the role of this kinase could open doors to potential therapeutic strategies for treating sleep disorders and possibly other conditions linked to its regulatory mechanisms.