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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q15822
UPID:
ACHA2_HUMAN
Alternative names:
-
Alternative UPACC:
Q15822; A8KAX3; B4DK19; J3KMY9; Q9HAQ3
Background:
The Neuronal acetylcholine receptor subunit alpha-2 plays a pivotal role in neurotransmission by binding acetylcholine, leading to an extensive conformational change that opens an ion-conducting channel across the plasma membrane. This process is crucial for signal transmission in the nervous system.
Therapeutic significance:
Linked to diseases such as Epilepsy, nocturnal frontal lobe, 4, and Seizures, benign familial infantile, 6, understanding the role of Neuronal acetylcholine receptor subunit alpha-2 could open doors to potential therapeutic strategies. Its involvement in neurological disorders highlights its potential as a target for drug discovery.