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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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.