Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q16613
UPID:
SNAT_HUMAN
Alternative names:
Aralkylamine N-acetyltransferase
Alternative UPACC:
Q16613; A0AVF2; J3KMZ5; Q562F4
Background:
Serotonin N-acetyltransferase, also known as Aralkylamine N-acetyltransferase, plays a pivotal role in the regulation of the night/day rhythm of melatonin production in the pineal gland. It catalyzes the N-acetylation of serotonin into N-acetylserotonin, a crucial step in melatonin synthesis.
Therapeutic significance:
Understanding the role of Serotonin N-acetyltransferase could open doors to potential therapeutic strategies. Its critical function in melatonin synthesis suggests its potential impact on sleep disorders and circadian rhythm disruptions.