Focused On-demand Library for Neuronal acetylcholine receptor subunit beta-2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential 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

P17787

UPID:

ACHB2_HUMAN

Alternative names:

Alternative UPACC:

P17787; Q9UEH9

Background:

The Neuronal acetylcholine receptor subunit beta-2, encoded by the gene with accession number P17787, plays a pivotal role in neurotransmission. This protein is integral to the function of acetylcholine receptors (AChRs) that, upon binding acetylcholine, undergo extensive conformational changes leading to the opening of an ion channel permeable to sodium ions.

Therapeutic significance:

Linked to Epilepsy, nocturnal frontal lobe, 3, a condition characterized by nocturnal seizures, the Neuronal acetylcholine receptor subunit beta-2's involvement in this disease underscores its potential as a target for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies.