Focused On-demand Library for Metabotropic glutamate receptor 2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible 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
Q14416

UPID:
GRM2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q14416; B0M0K7; Q14CU5; Q52MC6; Q9H3N6

BACKGROUND:
The Metabotropic glutamate receptor 2 (mGluR2) serves as a critical mediator in neurotransmitter signaling, specifically through its interaction with glutamate. By triggering a conformational change upon ligand binding, mGluR2 influences downstream signaling pathways, notably inhibiting adenylate cyclase. This receptor's activity is essential for the suppression of neurotransmission and plays a significant role in the maintenance and formation of synaptic connections.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Metabotropic glutamate receptor 2 offers a promising avenue for the development of novel therapeutic approaches. Given its integral role in synaptic regulation and neurotransmitter suppression, targeting mGluR2 could provide breakthroughs in treating various neurological conditions.

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