Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q06520
UPID:
ST2A1_HUMAN
Alternative names:
Bile salt sulfotransferase; Dehydroepiandrosterone sulfotransferase; Hydroxysteroid Sulfotransferase; ST2; SULT2A3
Alternative UPACC:
Q06520
Background:
Sulfotransferase 2A1, known by alternative names such as Bile salt sulfotransferase and Dehydroepiandrosterone sulfotransferase, plays a pivotal role in the sulfonation of steroids and bile acids in the liver and adrenal glands. This enzyme utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor to catalyze the sulfonation, enhancing the water solubility of compounds for better renal excretion. It is crucial in maintaining steroid and lipid homeostasis and bile acid metabolism.
Therapeutic significance:
Understanding the role of Sulfotransferase 2A1 could open doors to potential therapeutic strategies.