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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted 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
O75897
UPID:
ST1C4_HUMAN
Alternative names:
Sulfotransferase 1C2
Alternative UPACC:
O75897; Q069I8; Q08AS5; Q53S63
Background:
Sulfotransferase 1C4, alternatively known as Sulfotransferase 1C2, plays a crucial role in the metabolism of various compounds through sulfation. This enzyme utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor to catalyze the sulfate conjugation of phenolic compounds, including dietary flavonoids and environmental estrogens such as bisphenol A, which are preferred substrates over 17beta-estradiol. Notably, it also mediates the sulfation of antitumor anthracyclines doxorubicin and epirubicin.
Therapeutic significance:
Understanding the role of Sulfotransferase 1C4 could open doors to potential therapeutic strategies, particularly in the detoxification of harmful compounds and the metabolism of drugs.