Focused On-demand Library for Cytochrome P450 4F3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

20-hydroxyeicosatetraenoic acid synthase; CYPIVF3; Cytochrome P450-LTB-omega; Docosahexaenoic acid omega-hydroxylase CYP4F3; Leukotriene-B(4) 20-monooxygenase 2; Leukotriene-B(4) omega-hydroxylase 2

Alternative UPACC:

Q08477; B7Z8Z3; O60634; Q5U740


Cytochrome P450 4F3, known for its roles as 20-hydroxyeicosatetraenoic acid synthase and leukotriene-B(4) omega-hydroxylase, is a pivotal enzyme in the metabolism of fatty acids and oxylipins. It catalyzes the omega-oxidation of polyunsaturated fatty acids (PUFAs), contributing to the regulation of inflammatory responses and blood pressure through the modification of signaling molecules like leukotriene B4 and 20-HETE.

Therapeutic significance:

Understanding the role of Cytochrome P450 4F3 could open doors to potential therapeutic strategies, particularly in managing inflammation and vascular diseases by targeting its enzymatic pathways.

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