Focused On-demand Library for Gamma-aminobutyric acid receptor subunit delta

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O14764

UPID:

GBRD_HUMAN

Alternative names:

GABA(A) receptor subunit delta

Alternative UPACC:

O14764; Q8N4N9

Background:

Gamma-aminobutyric acid receptor subunit delta, known as GABA(A) receptor subunit delta, plays a pivotal role in the brain's inhibitory signaling by binding GABA, the primary inhibitory neurotransmitter. This action facilitates the opening of a chloride channel, leading to neuronal inhibition.

Therapeutic significance:

The protein is linked to several neurological disorders, including Generalized epilepsy with febrile seizures plus 5, Epilepsy, idiopathic generalized 10, and Juvenile myoclonic epilepsy 7. These associations highlight its potential as a target for therapeutic interventions in epilepsy and related conditions.