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

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.

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.

We utilise our cutting-edge, exclusive workflow to develop 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P28472

UPID:

GBRB3_HUMAN

Alternative names:

GABA(A) receptor subunit beta-3

Alternative UPACC:

P28472; B7Z2W1; B7Z825; F5H3D2; H7BYV8; Q14352; Q96FM5

Background:

Gamma-aminobutyric acid receptor subunit beta-3, also known as GABA(A) receptor subunit beta-3, 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. It also functions as a histamine receptor, contributing to somatosensation and antinociception.

Therapeutic significance:

The protein is linked to diseases such as Epilepsy, childhood absence 5, and Developmental and epileptic encephalopathy 43, highlighting its importance in neurological disorders. Understanding the role of Gamma-aminobutyric acid receptor subunit beta-3 could open doors to potential therapeutic strategies for these conditions.