Focused On-demand Library for Cytochrome P450 4A11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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.

partner

Reaxense

upacc

Q02928

UPID:

CP4AB_HUMAN

Alternative names:

20-hydroxyeicosatetraenoic acid synthase; CYP4AII; CYPIVA11; Cytochrome P-450HK-omega; Cytochrome P450HL-omega; Fatty acid omega-hydroxylase; Lauric acid omega-hydroxylase; Long-chain fatty acid omega-monooxygenase

Alternative UPACC:

Q02928; Q06766; Q16865; Q16866; Q5VSP8; Q86SU6; Q8IWY5

Background:

Cytochrome P450 4A11, known for its roles as 20-hydroxyeicosatetraenoic acid synthase, fatty acid omega-hydroxylase, and lauric acid omega-hydroxylase, is a pivotal enzyme in fatty acid metabolism. It catalyzes the omega-oxidation of saturated and unsaturated fatty acids, playing a crucial role in the metabolism of oxylipins. This enzyme's activity is essential for the conversion of fatty acids into signaling molecules, impacting various physiological processes.

Therapeutic significance:

Understanding the role of Cytochrome P450 4A11 could open doors to potential therapeutic strategies. Its involvement in the metabolism of fatty acids and the production of signaling molecules like 20-HETE, which influences arterial blood pressure, highlights its potential as a target for developing treatments for cardiovascular diseases.