Focused On-demand Library for Serine/threonine-protein kinase 40

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.


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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q8N2I9

UPID:
STK40_HUMAN

ALTERNATIVE NAMES:
SINK-homologous serine/threonine-protein kinase; Sugen kinase 495

ALTERNATIVE UPACC:
Q8N2I9; D3DPS8; Q5VTK8; Q5VTK9; Q6ZMN1; Q8N2J8; Q8N3I6; Q96HN6; Q96I44; Q9BSA3; Q9H7H6

BACKGROUND:
The protein known as Serine/threonine-protein kinase 40, with alternative names including SINK-homologous serine/threonine-protein kinase and Sugen kinase 495, is marked by its unique identifier Q8N2I9. It is hypothesized to act as a negative regulator of critical gene transcription pathways mediated by NF-kappa-B and p53, which are essential for the regulation of cellular processes such as apoptosis, proliferation, and immune responses.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Serine/threonine-protein kinase 40 offers a promising avenue for the development of novel therapeutic approaches. Given its regulatory role in NF-kappa-B and p53-mediated pathways, targeting this protein could provide new strategies for managing conditions characterized by the aberrant activity of these pathways.

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