Focused On-demand Libraries - Receptor.AI 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.


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 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
Q86W10

UPID:
CP4Z1_HUMAN

ALTERNATIVE NAMES:
CYPIVZ1; Laurate 7-monooxygenase

ALTERNATIVE UPACC:
Q86W10; Q5VVE4

BACKGROUND:
The enzyme Cytochrome P450 4Z1, with alternative names CYPIVZ1 and Laurate 7-monooxygenase, is a key player in fatty acid metabolism. It catalyzes the oxidation and hydroxylation of fatty acids, with a preference for lauric and myristic acids, and plays a role in the epoxidation of polyunsaturated fatty acids, leading to the production of specific epoxyeicosatrienoic acid enantiomers.

THERAPEUTIC SIGNIFICANCE:
The exploration of Cytochrome P450 4Z1's function offers a promising avenue for therapeutic intervention. Given its critical role in lipid metabolism and the generation of important lipid mediators, targeting this enzyme could provide novel approaches for treating metabolic diseases.

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