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

Focused On-demand Libraries - Reaxense 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 our partner 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.

We employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P32249

UPID:

GP183_HUMAN

Alternative names:

Epstein-Barr virus-induced G-protein coupled receptor 2

Alternative UPACC:

P32249; B2R8N5; Q53F99; Q5JUH7

Background:

G-protein coupled receptor 183 (GPR183), also known as Epstein-Barr virus-induced G-protein coupled receptor 2, plays a pivotal role in immune system regulation. It acts as a chemotactic receptor for various cells including B-cells, T-cells, and astrocytes, mediated by its interaction with oxysterols such as 7-alpha,25-dihydroxycholesterol. GPR183 is crucial for the localization and movement of immune cells, facilitating proper immune responses and cell communication.

Therapeutic significance:

Understanding the role of G-protein coupled receptor 183 could open doors to potential therapeutic strategies. Its involvement in guiding immune cell migration and differentiation highlights its potential as a target for modulating immune responses in various diseases.