Focused On-demand Library for Dual specificity protein kinase CLK1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 employ our advanced, specialised process to create targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P49759

UPID:

CLK1_HUMAN

Alternative names:

CDC-like kinase 1

Alternative UPACC:

P49759; B4DFW7; Q0P694; Q8N5V8

Background:

Dual specificity protein kinase CLK1, also known as CDC-like kinase 1, plays a pivotal role in cellular processes by acting on both serine/threonine and tyrosine-containing substrates. It is instrumental in phosphorylating SR proteins of the spliceosomal complex, thereby regulating RNA splicing. Key substrates include SRSF1, SRSF3, and PTPN1, highlighting its critical function in post-transcriptional control.

Therapeutic significance:

Understanding the role of Dual specificity protein kinase CLK1 could open doors to potential therapeutic strategies. Its involvement in the alternative splicing of tissue factor pre-mRNA in endothelial cells underscores its potential impact on disease mechanisms and therapeutic interventions.