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.
We utilise our cutting-edge, exclusive workflow to develop 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P11086
UPID:
PNMT_HUMAN
Alternative names:
Noradrenaline N-methyltransferase
Alternative UPACC:
P11086
Background:
Phenylethanolamine N-methyltransferase, also known as Noradrenaline N-methyltransferase, plays a crucial role in the biosynthesis of epinephrine from nonepinephrine. Utilizing S-adenosyl-L-methionine as the methyl donor, this enzyme catalyzes the transmethylation process, affecting various substrates including phenylethanolamine and octopamine. Its activity extends to the methylation of normetanephrine, showcasing its broad substrate specificity.
Therapeutic significance:
Understanding the role of Phenylethanolamine N-methyltransferase could open doors to potential therapeutic strategies. Its pivotal function in catecholamine metabolism positions it as a key target for modulating adrenergic signaling, which is vital in cardiovascular, respiratory, and neurological functions.