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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 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.

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

P47870

UPID:

GBRB2_HUMAN

Alternative names:

GABA(A) receptor subunit beta-2

Alternative UPACC:

P47870; A8K115; A8K1A0; D1LYT0; D1LYT1; Q16323; Q4FZB2

Background:

Gamma-aminobutyric acid receptor subunit beta-2, also known as GABA(A) receptor subunit beta-2, plays a crucial role in the brain's inhibitory signaling by forming ligand-gated chloride channels. This protein is essential for the development of functional inhibitory GABAergic synapses and mediates synaptic inhibition as a GABA-gated ion channel. Its involvement in the rapid formation of active synaptic contacts highlights its significance in neural communication.

Therapeutic significance:

The protein's association with Epileptic encephalopathy, infantile or early childhood, 2, underscores its therapeutic significance. This condition, characterized by severe childhood onset epilepsies, cognitive and motor delays post-seizure, points to the critical role of Gamma-aminobutyric acid receptor subunit beta-2 in neural health. Targeting this protein could lead to innovative treatments for epilepsy and related neurodevelopmental disorders.