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.


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.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
P47870

UPID:
GBRB2_HUMAN

ALTERNATIVE NAMES:
GABA(A) receptor subunit beta-2

ALTERNATIVE UPACC:
P47870; A8K115; A8K1A0; D1LYT0; D1LYT1; Q16323; Q4FZB2

BACKGROUND:
The Gamma-aminobutyric acid receptor subunit beta-2 is a key component of the brain's major inhibitory neurotransmitter system, involved in forming GABA-gated ion channels. It ensures the proper functioning of inhibitory synapses and is vital for the brain's overall inhibitory balance. Additionally, it functions as a histamine receptor, indicating its broader role in mediating cellular responses.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Gamma-aminobutyric acid receptor subunit beta-2 could open doors to potential therapeutic strategies. Its direct link to Epileptic encephalopathy, infantile or early childhood, 2, a disease marked by severe epilepsy and neurodevelopmental issues, highlights the protein's potential as a target for developing novel epilepsy treatments.

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