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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UNU6
UPID:
CP8B1_HUMAN
Alternative names:
7-alpha-hydroxy-4-cholesten-3-one 12-alpha-hydroxylase; CYPVIIIB1; Cytochrome P450 8B1; Sterol 12-alpha-hydroxylase
Alternative UPACC:
Q9UNU6; B2RCY3; O75958; Q6NWT2; Q6NWT3
Background:
7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, also known as Cytochrome P450 8B1, plays a crucial role in primary bile acid biosynthesis. It catalyzes the 12alpha-hydroxylation of 7alpha-hydroxy-4-cholesten-3-one, a key step in cholic acid synthesis. This enzyme is essential for maintaining the biliary balance of cholic acid and chenodeoxycholic acid, which is vital for the intestinal absorption of dietary lipids.
Therapeutic significance:
Understanding the role of 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase could open doors to potential therapeutic strategies.