Focused On-demand Library for Gamma-aminobutyric acid receptor subunit beta-1

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.

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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P18505

UPID:

GBRB1_HUMAN

Alternative names:

GABA(A) receptor subunit beta-1

Alternative UPACC:

P18505; B2R6U7; D6REL3; Q16166; Q8TBK3

Background:

Gamma-aminobutyric acid receptor subunit beta-1, also known as GABA(A) receptor subunit beta-1, plays a pivotal role in the brain's response to GABA, the primary inhibitory neurotransmitter. It is involved in various cellular responses to histamine, diazepines, and anesthetics like pentobarbital, acting as a ligand-gated chloride channel.

Therapeutic significance:

The protein is linked to Developmental and epileptic encephalopathy 45, a severe condition marked by early-onset epilepsies, cognitive and motor delays post-seizure. Understanding its function could lead to novel therapeutic strategies for this and related neurological disorders.