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.
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.
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 employ our advanced, specialised process to create targeted 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
Q04844
UPID:
ACHE_HUMAN
Alternative names:
-
Alternative UPACC:
Q04844; D3DTK6
Background:
The Acetylcholine receptor subunit epsilon plays a pivotal role in neuromuscular signaling, facilitating communication between nerve cells and muscles. This protein's activation by acetylcholine triggers a conformational change, opening an ion channel that allows for muscle activation.
Therapeutic significance:
Mutations in this receptor are linked to various forms of congenital myasthenic syndrome, disorders marked by muscle weakness and fatigue. Understanding its kinetics and interaction with ligands could lead to targeted therapies for these neuromuscular diseases.