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.
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 enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P46597
UPID:
ASMT_HUMAN
Alternative names:
Hydroxyindole O-methyltransferase
Alternative UPACC:
P46597; B2RC33; Q16598; Q5JQ72; Q5JQ73
Background:
Acetylserotonin O-methyltransferase, also known as Hydroxyindole O-methyltransferase, plays a crucial role in the biosynthesis of melatonin by catalyzing the methylation of N-acetylserotonin into melatonin. This enzyme's activity is pivotal in the regulation of sleep and circadian rhythms.
Therapeutic significance:
Understanding the role of Acetylserotonin O-methyltransferase could open doors to potential therapeutic strategies. Its involvement in melatonin production suggests its potential impact on sleep disorders and circadian rhythm disturbances.