Focused On-demand Library for Glutamate receptor 1

Details

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is 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.


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


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
P42261

UPID:
GRIA1_HUMAN

ALTERNATIVE NAMES:
AMPA-selective glutamate receptor 1; GluR-A; GluR-K1; Glutamate receptor ionotropic, AMPA 1

ALTERNATIVE UPACC:
P42261; B7Z2S0; B7Z2W8; B7Z3F6; B7Z9G9; D3DQI4; E7ESV8; Q2NKM6

BACKGROUND:
The Glutamate receptor 1, with its alternative identities such as AMPA-selective glutamate receptor 1 and GluR-A, is crucial for synaptic transmission in the central nervous system. It acts by binding L-glutamate, which triggers a conformational change, opening the cation channel and facilitating the conversion of chemical to electrical signals. This receptor's rapid desensitization and resensitization in the presence of certain proteins highlight its complex regulatory mechanisms.

THERAPEUTIC SIGNIFICANCE:
Involvement of Glutamate receptor 1 in diseases like Intellectual developmental disorder, autosomal dominant 67, and autosomal recessive 76, underscores its therapeutic significance. These disorders, marked by severe developmental and intellectual challenges, point to the receptor's potential as a target for innovative treatments. Understanding its role could pave the way for groundbreaking therapeutic approaches.

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