Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P32297
UPID:
ACHA3_HUMAN
Alternative names:
-
Alternative UPACC:
P32297; Q15823; Q4KMN8; Q86U77; Q96RH3; Q99553; Q9BQ93; Q9BRR4
Background:
The Neuronal acetylcholine receptor subunit alpha-3 plays a pivotal role in neurotransmission by altering its conformation in response to acetylcholine binding. This action opens an ion-conducting channel across the plasma membrane, integral for nerve signal propagation.
Therapeutic significance:
Linked to Bladder dysfunction, autonomic, with impaired pupillary reflex and secondary CAKUT, this protein's dysfunction underlines the importance of its study for therapeutic advancements. Understanding the role of Neuronal acetylcholine receptor subunit alpha-3 could open doors to potential therapeutic strategies.