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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P07099
UPID:
HYEP_HUMAN
Alternative names:
Epoxide hydratase; Microsomal epoxide hydrolase
Alternative UPACC:
P07099; B2R8N0; Q5VTJ6; Q9NP75; Q9NPE7; Q9NQU6; Q9NQU7; Q9NQU8; Q9NQU9; Q9NQV0; Q9NQV1; Q9NQV2
Background:
Epoxide hydrolase 1, also known as microsomal epoxide hydrolase, plays a crucial role in the detoxification of epoxides through the hydrolysis process, transforming them into less reactive dihydrodiols. This enzyme is pivotal in the metabolism of endogenous lipids, including epoxide-containing fatty acids, and the breakdown of the endocannabinoid 2-arachidonoylglycerol (2-AG) into arachidonic acid and glycerol.
Therapeutic significance:
Understanding the role of Epoxide hydrolase 1 could open doors to potential therapeutic strategies.