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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P22303
UPID:
ACES_HUMAN
Alternative names:
-
Alternative UPACC:
P22303; A4D2E2; B7ZKZ0; D6W5X7; Q16169; Q29S23; Q2M324; Q504V3; Q53F46; Q86TM9; Q86YX9; Q9BXP7
Background:
Acetylcholinesterase plays a crucial role in cholinergic neurotransmission by hydrolyzing the neurotransmitter acetylcholine, thus terminating signal transduction at the neuromuscular junction. Its activity is essential for the proper functioning of the nervous system, and it is involved in various neuronal processes, including apoptosis.
Therapeutic significance:
Understanding the role of Acetylcholinesterase could open doors to potential therapeutic strategies. Its pivotal function in neurotransmitter regulation makes it a target for drugs aimed at treating diseases such as Alzheimer's, where acetylcholine levels are affected.