Focused On-demand Library for Ectonucleotide pyrophosphatase/phosphodiesterase family member 7

Focused On-demand Libraries - Receptor.AI 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.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q6UWV6

UPID:
ENPP7_HUMAN

ALTERNATIVE NAMES:
Alkaline sphingomyelin phosphodiesterase; Intestinal alkaline sphingomyelinase

ALTERNATIVE UPACC:
Q6UWV6; Q6ZTS5; Q8IUS8

BACKGROUND:
The protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 7, known for its alternative names Alkaline sphingomyelin phosphodiesterase and Intestinal alkaline sphingomyelinase, is instrumental in the digestion of sphingomyelin, leading to ceramide and phosphocholine release. It exhibits phospholipase C activity, targeting palmitoyl lyso-phosphatidylcholine and platelet-activating factor, and plays a significant role in cholesterol absorption by modulating sphingomyelin levels in the intestinal lumen.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ectonucleotide pyrophosphatase/phosphodiesterase family member 7 could open doors to potential therapeutic strategies.

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