Focused On-demand Library for Gamma-aminobutyric acid receptor subunit alpha-3

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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.


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
P34903

UPID:
GBRA3_HUMAN

ALTERNATIVE NAMES:
GABA(A) receptor subunit alpha-3

ALTERNATIVE UPACC:
P34903; Q8TAF9

BACKGROUND:
The Gamma-aminobutyric acid receptor subunit alpha-3, an alternative name GABA(A) receptor subunit alpha-3, is integral for inhibitory neurotransmission in the vertebrate central nervous system. By binding to GABA and opening chloride channels, it plays a key role in reducing neuronal excitability throughout the nervous system.

THERAPEUTIC SIGNIFICANCE:
Associated with Epilepsy, X-linked 2, this protein's dysfunction can lead to severe neurological disorders, including seizures and cognitive impairments. Targeting Gamma-aminobutyric acid receptor subunit alpha-3 offers a promising avenue for developing novel treatments for these debilitating conditions.

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