Focused On-demand Library for Eukaryotic elongation factor 2 kinase

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O00418

UPID:
EF2K_HUMAN

ALTERNATIVE NAMES:
Calcium/calmodulin-dependent eukaryotic elongation factor 2 kinase

ALTERNATIVE UPACC:
O00418; Q8N588

BACKGROUND:
The protein Eukaryotic elongation factor 2 kinase, alternatively named Calcium/calmodulin-dependent eukaryotic elongation factor 2 kinase, is crucial in the modulation of protein synthesis. It achieves this by phosphorylating EEF2, which in turn becomes unable to bind ribosomes, effectively slowing down the protein synthesis process. Activation of this kinase is mediated by several upstream kinases such as AMPK or TRPM7.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Eukaryotic elongation factor 2 kinase offers promising avenues for the development of novel therapeutic interventions.

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