Focused On-demand Library for Epoxide hydrolase 4

Focused On-demand Libraries - Reaxense Collaboration

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8IUS5

UPID:

EPHX4_HUMAN

Alternative names:

Abhydrolase domain-containing protein 7; Epoxide hydrolase-related protein

Alternative UPACC:

Q8IUS5; Q8NCC6

Background:

Epoxide hydrolase 4, also known by its alternative names Abhydrolase domain-containing protein 7 and Epoxide hydrolase-related protein, plays a crucial role in the metabolism of epoxides. These enzymes are pivotal in detoxifying a wide range of endogenous and exogenous epoxides, converting them into less harmful diols. This process is essential for maintaining cellular homeostasis and protecting DNA from potential damage.

Therapeutic significance:

Understanding the role of Epoxide hydrolase 4 could open doors to potential therapeutic strategies. Its involvement in the detoxification process positions it as a key target for developing treatments aimed at enhancing the body's natural defense mechanisms against harmful compounds, potentially leading to novel approaches in the prevention and treatment of diseases caused by epoxide-induced cellular damage.