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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q16850
UPID:
CP51A_HUMAN
Alternative names:
CYPLI; Cytochrome P450 51A1; Cytochrome P450-14DM; Cytochrome P450LI; Sterol 14-alpha demethylase
Alternative UPACC:
Q16850; A0A0C4DFL7; A4D1F8; B2RAI4; B4DJ55; O00770; O00772; Q16784; Q8N1A8; Q99868
Background:
Lanosterol 14-alpha demethylase, known by alternative names such as CYPLI and Cytochrome P450 51A1, is pivotal in cholesterol biosynthesis. It catalyzes the removal of the 14alpha-methyl group from sterols, facilitating the production of cholesterol, a crucial component in mammalian membranes and a precursor for bile acids and steroid hormones.
Therapeutic significance:
Understanding the role of Lanosterol 14-alpha demethylase could open doors to potential therapeutic strategies.