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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P20813
UPID:
CP2B6_HUMAN
Alternative names:
1,4-cineole 2-exo-monooxygenase; CYPIIB6; Cytochrome P450 IIB1
Alternative UPACC:
P20813; B4DWP3; Q2V565; Q9UK46
Background:
Cytochrome P450 2B6, known as CYPIIB6 or 1,4-cineole 2-exo-monooxygenase, plays a crucial role in the metabolism of endocannabinoids, steroids, and xenobiotics. It catalyzes the epoxidation of arachidonoylethanolamide and hydroxylates steroid hormones, including testosterone and estrogens, thereby influencing endocannabinoid system signaling and steroid hormone activity.
Therapeutic significance:
Understanding the role of Cytochrome P450 2B6 could open doors to potential therapeutic strategies. Its involvement in the metabolism of various biological molecules and drugs highlights its importance in pharmacogenomics and personalized medicine.