AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Muscarinic acetylcholine receptor M3

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

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

P20309

UPID:

ACM3_HUMAN

Alternative names:

-

Alternative UPACC:

P20309; Q0VAJ8; Q4QRI3; Q5VXY2; Q9HB60

Background:

The Muscarinic acetylcholine receptor M3, encoded by the gene with accession number P20309, plays a pivotal role in various cellular responses. These include inhibition of adenylate cyclase, phosphoinositide breakdown, and potassium channel modulation via G proteins, with primary transducing effect being Pi turnover. This receptor is integral to the muscarinic acetylcholine receptor family, known for its broad physiological impact.

Therapeutic significance:

Prune belly syndrome, characterized by thin abdominal musculature, cryptorchism, and urinary tract abnormalities, is linked to variants affecting the Muscarinic acetylcholine receptor M3 gene. This association underscores the receptor's potential as a target for therapeutic intervention, offering hope for novel treatments.

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