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

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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 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

Q15822

UPID:

ACHA2_HUMAN

Alternative names:

Alternative UPACC:

Q15822; A8KAX3; B4DK19; J3KMY9; Q9HAQ3

Background:

The Neuronal acetylcholine receptor subunit alpha-2 plays a pivotal role in neurotransmission by binding acetylcholine, leading to an extensive conformational change that opens an ion-conducting channel across the plasma membrane. This process is crucial for signal transmission in the nervous system.

Therapeutic significance:

Linked to diseases such as Epilepsy, nocturnal frontal lobe, 4, and Seizures, benign familial infantile, 6, understanding the role of Neuronal acetylcholine receptor subunit alpha-2 could open doors to potential therapeutic strategies. Its involvement in neurological disorders highlights its potential as a target for drug discovery.