Focused On-demand Library for Serine/threonine-protein kinase ICK

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9UPZ9

UPID:

CILK1_HUMAN

Alternative names:

Ciliogenesis associated kinase 1; Intestinal cell kinase; Laryngeal cancer kinase 2; MAK-related kinase

Alternative UPACC:

Q9UPZ9; A7MD41; O75985; Q5THL2; Q8IYH8; Q9BX17; Q9NYX3

Background:

Serine/threonine-protein kinase ICK, also known as Ciliogenesis associated kinase 1, plays a pivotal role in ciliogenesis, phosphorylating KIF3A, and regulating ciliary length and intraflagellar transport. Its involvement extends to the development of multiple organ systems, especially in cardiac development, through its kinase activity.

Therapeutic significance:

The protein's association with Endocrine-cerebroosteodysplasia and Juvenile myoclonic epilepsy 10 highlights its potential in therapeutic strategies targeting these genetic disorders. Understanding the role of Serine/threonine-protein kinase ICK could open doors to novel treatments for these conditions.