AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Epoxide hydrolase 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.

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