AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity protein kinase CLK2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P49760

UPID:

CLK2_HUMAN

Alternative names:

CDC-like kinase 2

Alternative UPACC:

P49760; B1AVS9; B5MBX6; Q96CQ0

Background:

Dual specificity protein kinase CLK2, also known as CDC-like kinase 2, plays a pivotal role in cellular processes by acting on both serine/threonine and tyrosine-containing substrates. It is involved in the phosphorylation of serine- and arginine-rich proteins of the spliceosomal complex, influencing RNA splicing and the distribution of SR proteins. CLK2's activity extends to the suppression of hepatic gluconeogenesis through the repression of PPARGC1A transcriptional activity, and it participates in the regulation of AKT1 phosphorylation via PPP2R5B.

Therapeutic significance:

Understanding the role of Dual specificity protein kinase CLK2 could open doors to potential therapeutic strategies.

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