Focused On-demand Library for Dual specificity protein kinase CLK3

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


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


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 screening 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.


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
Receptor.AI
 
UPACC
P49761

UPID:
CLK3_HUMAN

ALTERNATIVE NAMES:
CDC-like kinase 3

ALTERNATIVE UPACC:
P49761; D3DW59; Q53Y48; Q9BRS3; Q9BUJ7

BACKGROUND:
The enzyme Dual specificity protein kinase CLK3, alternatively named CDC-like kinase 3, is integral to the regulation of RNA splicing. It achieves this by phosphorylating SR proteins, thereby affecting their localization and function within the nucleoplasm. This kinase's ability to target both serine/threonine and tyrosine residues makes it a versatile component in cellular signaling pathways, particularly in modulating the alternative splicing of tissue factor pre-mRNA among endothelial cells.

THERAPEUTIC SIGNIFICANCE:
The exploration of Dual specificity protein kinase CLK3's function offers promising avenues for drug discovery. By elucidating its role in the intricate network of RNA splicing and protein regulation, novel therapeutic interventions could be developed to harness its potential in treating diseases at their genetic roots.

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