AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Neuronal acetylcholine receptor subunit alpha-7

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We use our state-of-the-art dedicated workflow for designing 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P36544

UPID:

ACHA7_HUMAN

Alternative names:

-

Alternative UPACC:

P36544; A8K7Q4; B4DFS0; Q15826; Q8IUZ4; Q96RH2; Q99555; Q9BXH0

Background:

The Neuronal acetylcholine receptor subunit alpha-7 is a pivotal component in neurotransmission, responding to acetylcholine by undergoing extensive conformational changes. This process leads to the opening of an ion-conducting channel across the plasma membrane, a critical step in neural signal transduction.

Therapeutic significance:

Understanding the role of Neuronal acetylcholine receptor subunit alpha-7 could open doors to potential therapeutic strategies. Its intricate involvement in neurotransmission highlights its potential as a target for developing treatments for neurological disorders.

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