AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Gamma-aminobutyric acid receptor subunit alpha-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P14867

UPID:

GBRA1_HUMAN

Alternative names:

GABA(A) receptor subunit alpha-1

Alternative UPACC:

P14867; D3DQK6; Q8N629

Background:

Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1) is a pivotal component of the GABA receptor, the principal inhibitory neurotransmitter in the brain. It functions as a ligand-gated chloride channel, essential for mediating synaptic inhibition and plays a crucial role in the formation of functional inhibitory GABAergic synapses.

Therapeutic significance:

Linked to various forms of epilepsy, including childhood absence epilepsy 4, idiopathic generalized epilepsy 13, juvenile myoclonic epilepsy 5, and developmental and epileptic encephalopathy 19, Gamma-aminobutyric acid receptor subunit alpha-1 represents a promising target for therapeutic intervention. Understanding its role could pave the way for novel treatments.

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