Focused On-demand Library for Muscarinic acetylcholine receptor M3

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.

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.

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.

Our top-notch dedicated system is used to design specialised 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 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

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.