Focused On-demand Library for Cyclin-dependent kinase 10

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q15131

UPID:

CDK10_HUMAN

Alternative names:

Cell division protein kinase 10; Serine/threonine-protein kinase PISSLRE

Alternative UPACC:

Q15131; A8K370; A8K8I6; A8MXU6; B3KQJ3; B7Z420; D3DX82; D3DX83; Q0VGZ7; Q15130; Q6PJC0

Background:

Cyclin-dependent kinase 10 (CDK10), also known as Serine/threonine-protein kinase PISSLRE, plays a pivotal role in cell division and the regulation of the actin cytoskeleton. It is known for phosphorylating the transcription factor ETS2, which influences its degradation, and for its involvement in actin dynamics through the phosphorylation of PKN2. CDK10's activity is crucial for the negative regulation of ciliogenesis, promoting RhoA signaling.

Therapeutic significance:

CDK10 is linked to Al Kaissi syndrome, a disorder marked by growth retardation, spine malformation, and developmental delays, due to gene variants affecting CDK10. Understanding the role of CDK10 could open doors to potential therapeutic strategies for this syndrome.