Focused On-demand Library for G protein-coupled receptor kinase 4

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our high-tech, dedicated method is applied to construct targeted 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
P32298

UPID:
GRK4_HUMAN

ALTERNATIVE NAMES:
G protein-coupled receptor kinase GRK4; ITI1

ALTERNATIVE UPACC:
P32298; O00641; O00642; Q13293; Q13294; Q13295; Q14453; Q14725; Q15313; Q15314; Q15315; Q15316; Q17RH6; Q53EQ8

BACKGROUND:
The enzyme G protein-coupled receptor kinase 4, with alternative names GRK4 and ITI1, is instrumental in the phosphorylation of activated G protein-coupled receptors. This process is essential for receptor desensitization, internalization, and signaling. GRK4 exhibits specificity towards certain receptors, including rhodopsin by its alpha isoform and DRD3 and ADRB2 by others, underscoring its selective regulatory role in cellular communication.

THERAPEUTIC SIGNIFICANCE:
The strategic exploration of G protein-coupled receptor kinase 4's function offers a promising avenue for the development of novel therapeutic interventions. By targeting GRK4's unique ability to modulate GPCR activity, researchers can potentially devise innovative treatments for conditions where dysregulated receptor signaling plays a critical role.

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