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 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P49888
UPID:
ST1E1_HUMAN
Alternative names:
EST-1; Estrogen sulfotransferase; Sulfotransferase, estrogen-preferring
Alternative UPACC:
P49888; Q8N6X5
Background:
Sulfotransferase 1E1, known as Estrogen sulfotransferase, plays a pivotal role in estrogen homeostasis by catalyzing the sulfate conjugation of estrogens, leading to their inactivation. It also sulfates a variety of other substrates, including dehydroepiandrosterone and xenobiotic compounds, but does not act on cortisol, testosterone, and dopamine. This enzyme is crucial in the metabolic interaction between gut microbiota and the host, sulfonating dietary and bacterial metabolites.
Therapeutic significance:
Understanding the role of Sulfotransferase 1E1 could open doors to potential therapeutic strategies, especially in regulating estrogen levels and influencing gut microbiota-host metabolic interactions.