AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity protein kinase CLK4

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our high-tech, dedicated method is applied to construct targeted 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

Q9HAZ1

UPID:

CLK4_HUMAN

Alternative names:

CDC-like kinase 4

Alternative UPACC:

Q9HAZ1

Background:

Dual specificity protein kinase CLK4, also known as CDC-like kinase 4, 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, facilitating the regulation of RNA splicing. This includes the alternative splicing of MAPT/TAU and tissue factor (F3) pre-mRNA in endothelial cells, highlighting its critical function in post-transcriptional gene expression.

Therapeutic significance:

Understanding the role of Dual specificity protein kinase CLK4 could open doors to potential therapeutic strategies. Its involvement in the regulation of alternative splicing and post-transcriptional gene expression presents it as a key target for addressing disorders related to aberrant splicing processes.

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