Focused On-demand Library for G-protein coupled receptor 183

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.


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 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


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
P32249

UPID:
GP183_HUMAN

ALTERNATIVE NAMES:
Epstein-Barr virus-induced G-protein coupled receptor 2

ALTERNATIVE UPACC:
P32249; B2R8N5; Q53F99; Q5JUH7

BACKGROUND:
The G-protein coupled receptor 183, alternatively named Epstein-Barr virus-induced G-protein coupled receptor 2, is integral to immune cell navigation and positioning. By binding to specific oxysterols, it directs the movement of B-cells, T-cells, and other crucial immune cells, ensuring their proper placement for effective immune defense. Its expression is key during B-cell maturation and in the regulation of astrocyte and osteoclast precursor migration.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of G-protein coupled receptor 183 offers a promising avenue for the development of novel therapeutic approaches. Its central role in immune cell regulation and positioning makes it a compelling target for drug discovery, aiming to enhance or suppress immune responses as needed.

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