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:
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.