Focused On-demand Library for Gamma-aminobutyric acid type B receptor subunit 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible 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

O75899

UPID:

GABR2_HUMAN

Alternative names:

G-protein coupled receptor 51; HG20

Alternative UPACC:

O75899; O75974; O75975; Q5VXZ2; Q8WX04; Q9P1R2; Q9UNR1; Q9UNS9

Background:

Gamma-aminobutyric acid type B receptor subunit 2 (GABBR2), also known as G-protein coupled receptor 51 and HG20, plays a pivotal role in the GABA neurotransmitter system. It forms a heterodimeric receptor with GABBR1, crucial for GABA's inhibitory action in the central nervous system. GABBR2 is involved in various cellular processes, including inhibiting adenylate cyclase, stimulating phospholipase A2, and modulating potassium and calcium channels.

Therapeutic significance:

GABBR2's involvement in neurodevelopmental disorders and epileptic encephalopathies highlights its potential as a therapeutic target. Understanding the role of Gamma-aminobutyric acid type B receptor subunit 2 could open doors to potential therapeutic strategies for conditions like Neurodevelopmental disorder with poor language and loss of hand skills, and Developmental and epileptic encephalopathy 59.