AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Gamma-aminobutyric acid receptor subunit alpha-5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential 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

Reaxense

upacc

P31644

UPID:

GBRA5_HUMAN

Alternative names:

GABA(A) receptor subunit alpha-5

Alternative UPACC:

P31644; A8K338; Q14DC2; Q53XL6; Q9NYT3; Q9NYT4; Q9NYT5

Background:

Gamma-aminobutyric acid receptor subunit alpha-5, also known as GABA(A) receptor subunit alpha-5, plays a crucial role in the brain's inhibitory signaling by forming ligand-gated chloride channels. This protein is essential for the proper functioning of GABA, the predominant inhibitory neurotransmitter, influencing neural excitability and transmission.

Therapeutic significance:

The protein's involvement in Developmental and Epileptic Encephalopathy 79, a severe neurological condition marked by early-onset refractory seizures and neurodevelopmental delays, underscores its therapeutic potential. Targeting this protein could lead to novel treatments for this debilitating disease, offering hope for improved outcomes.

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