Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P34913
UPID:
HYES_HUMAN
Alternative names:
-
Alternative UPACC:
P34913; B2Z3B1; B3KTU8; B3KUA0; G3V134; J3KPH7; Q16764; Q9HBJ1; Q9HBJ2
Background:
Bifunctional epoxide hydrolase 2 (BEH2) is a crucial enzyme with dual functionality. Its C-terminal domain breaks down potentially harmful epoxides, playing a vital role in xenobiotic metabolism. The N-terminal domain exhibits lipid phosphatase activity, targeting various phosphonooxy-hydroxy-octadecanoic acids and lyso-glycerophospholipids. This enzyme's activities are essential for maintaining physiological mediator levels and detoxifying toxic compounds.
Therapeutic significance:
Understanding the role of Bifunctional epoxide hydrolase 2 could open doors to potential therapeutic strategies. Its involvement in detoxifying harmful compounds and regulating lipid mediators highlights its potential as a target for developing treatments aimed at enhancing the body's natural detoxification processes.