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

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.

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.

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 sreening 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

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.