Focused On-demand Library for Gamma-aminobutyric acid receptor subunit alpha-3

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.

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

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.

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

P34903

UPID:

GBRA3_HUMAN

Alternative names:

GABA(A) receptor subunit alpha-3

Alternative UPACC:

P34903; Q8TAF9

Background:

Gamma-aminobutyric acid receptor subunit alpha-3, also known as GABA(A) receptor subunit alpha-3, plays a pivotal role in the brain's inhibitory signaling by mediating the effects of GABA, the primary inhibitory neurotransmitter. This protein's function is crucial for maintaining the balance between neuronal excitation and inhibition, ensuring proper brain function.

Therapeutic significance:

The protein is linked to Epilepsy, X-linked 2, with or without impaired intellectual development and dysmorphic features, a neurological disorder characterized by epileptic seizures and varying degrees of intellectual disability. Understanding the role of Gamma-aminobutyric acid receptor subunit alpha-3 could open doors to potential therapeutic strategies for this condition.