Focused On-demand Library for G protein-coupled receptor kinase 6

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.


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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
P43250

UPID:
GRK6_HUMAN

ALTERNATIVE NAMES:
G protein-coupled receptor kinase GRK6

ALTERNATIVE UPACC:
P43250; O60541; Q13652

BACKGROUND:
The enzyme G protein-coupled receptor kinase 6, also known as GRK6, is crucial for the phosphorylation of activated G protein-coupled receptors, leading to their desensitization. It is involved in key physiological processes, including the desensitization of D2-like dopamine receptors and CXCR4, a receptor vital for cell chemotaxis in response to CXCL12. GRK6 also targets rhodopsin and LRP6, indicating its broad role in cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of G protein-coupled receptor kinase 6 offers a promising avenue for developing novel therapeutic interventions.

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