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.


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 screening 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.


PARTNER
Receptor.AI
 
UPACC
Q9HBI6

UPID:
CP4FB_HUMAN

ALTERNATIVE NAMES:
3-hydroxy fatty acids omega-hydroxylase CYP4F11; Docosahexaenoic acid omega-hydroxylase; Long-chain fatty acid omega-monooxygenase; Phylloquinone omega-hydroxylase CYP4F11

ALTERNATIVE UPACC:
Q9HBI6; A0A024R7G0; A8K059; O75254; Q96AQ5

BACKGROUND:
The enzyme Cytochrome P450 4F11 is involved in the metabolism of endogenous substrates, including the omega-oxidation of fatty acids. This process is vital for producing long-chain 3-hydroxydicarboxylic acids and inactivating vitamins K1 and K2, which are crucial for blood coagulation. Its ability to metabolize fatty acids, albeit with low efficiency, highlights its significance in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Cytochrome P450 4F11 offers a pathway to uncovering novel therapeutic approaches.

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