Focused On-demand Library for Neuronal acetylcholine receptor subunit alpha-9

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible 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

Q9UGM1

UPID:

ACHA9_HUMAN

Alternative names:

Nicotinic acetylcholine receptor subunit alpha-9

Alternative UPACC:

Q9UGM1; Q14CY7; Q4W5A2; Q9NYV2

Background:

The Neuronal acetylcholine receptor subunit alpha-9, identified by the accession number Q9UGM1, plays a pivotal role in auditory processing. This ionotropic receptor modulates auditory stimuli through a conformation change upon agonist binding, leading to the opening of an ion-conducting channel. It is permeable to divalent cations, including calcium, which may activate a potassium current, hyperpolarizing the cell membrane. This process is crucial in reducing basilar membrane motion, potentially protecting against acoustic trauma.

Therapeutic significance:

Understanding the role of Neuronal acetylcholine receptor subunit alpha-9 could open doors to potential therapeutic strategies, particularly in the realm of auditory health and protection against acoustic trauma.