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.
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.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial 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.