Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P11230
UPID:
ACHB_HUMAN
Alternative names:
-
Alternative UPACC:
P11230; B7Z5H1; Q8IZ46; Q96FB8
Background:
The Acetylcholine receptor subunit beta, encoded by the gene with accession number P11230, plays a pivotal role in neuromuscular transmission. This protein responds to the binding of acetylcholine, a key neurotransmitter, by undergoing a significant conformational change that opens an ion-conducting channel across the plasma membrane.
Therapeutic significance:
Mutations in this protein lead to congenital myasthenic syndromes, such as CMS2A and CMS2C, characterized by muscle weakness and fatigability. Understanding the role of Acetylcholine receptor subunit beta could open doors to potential therapeutic strategies for these neuromuscular disorders.