Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q14534
UPID:
ERG1_HUMAN
Alternative names:
Squalene epoxidase
Alternative UPACC:
Q14534; Q9UEK6; Q9UNR6
Background:
Squalene monooxygenase, also known as Squalene epoxidase, plays a pivotal role in steroid biosynthesis. It catalyzes the stereospecific oxidation of squalene to (S)-2,3-epoxysqualene, a critical step in the production of cholesterol and other sterols. This enzyme's activity is considered rate-limiting in the pathway, highlighting its importance in cellular processes.
Therapeutic significance:
Understanding the role of Squalene monooxygenase could open doors to potential therapeutic strategies. Its central function in cholesterol biosynthesis makes it a target of interest for addressing disorders related to cholesterol metabolism.