Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q9BZM2

UPID:
PA2GF_HUMAN

ALTERNATIVE NAMES:
Phosphatidylcholine 2-acylhydrolase 2F

ALTERNATIVE UPACC:
Q9BZM2; Q5R385; Q8N217; Q9H506

BACKGROUND:
The enzyme Group IIF secretory phospholipase A2, alternatively named Phosphatidylcholine 2-acylhydrolase 2F, targets extracellular phospholipids, catalyzing the hydrolysis of the ester bond at the sn-2 position. Its activity sequence preference, from phosphatidylglycerols to phosphatidylserines, underlines its specificity and importance in lipid metabolism. This process is essential for supplying arachidonic acid for downstream inflammatory mediators.

THERAPEUTIC SIGNIFICANCE:
The exploration of Group IIF secretory phospholipase A2's function offers a promising pathway to developing therapeutic interventions. Given its critical role in providing arachidonic acid for inflammation mediators, targeting this enzyme could lead to innovative treatments for managing and potentially alleviating inflammatory diseases.

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