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

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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.