Focused On-demand Library for Metabotropic glutamate receptor 1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13255

UPID:

GRM1_HUMAN

Alternative names:

Alternative UPACC:

Q13255; B9EG79; F8W805; Q13256; Q14757; Q14758; Q5VTF7; Q5VTF8; Q9NU10; Q9UGS9; Q9UGT0

Background:

Metabotropic glutamate receptor 1 (mGluR1) is a critical G-protein coupled receptor in the central nervous system, primarily activated by glutamate. This receptor plays a pivotal role in synaptic plasticity, including long-term potentiation in the hippocampus and long-term depression in the cerebellum, essential for learning and memory. It is also implicated in the retina's response to light.

Therapeutic significance:

The involvement of mGluR1 in spinocerebellar ataxia types 13 and 44, characterized by progressive incoordination and intellectual disability, underscores its therapeutic potential. Targeting mGluR1 could lead to novel treatments for these and possibly other glutamate-related disorders.