Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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

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.


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
P14867

UPID:
GBRA1_HUMAN

ALTERNATIVE NAMES:
GABA(A) receptor subunit alpha-1

ALTERNATIVE UPACC:
P14867; D3DQK6; Q8N629

BACKGROUND:
The Gamma-aminobutyric acid receptor subunit alpha-1, a key component of the GABA receptor, plays a vital role in the brain's inhibitory signaling by functioning as a ligand-gated chloride channel. It is instrumental in synaptic inhibition and the development of GABAergic synapses, influencing the brain's overall excitability.

THERAPEUTIC SIGNIFICANCE:
Given its association with several epilepsy disorders, including childhood absence epilepsy 4 and juvenile myoclonic epilepsy 5, the therapeutic potential of targeting Gamma-aminobutyric acid receptor subunit alpha-1 is significant. Exploring its function offers a promising avenue for developing new epilepsy treatments.

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