Focused On-demand Library for Bis(5'-adenosyl)-triphosphatase ENPP4

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9Y6X5

UPID:
ENPP4_HUMAN

ALTERNATIVE NAMES:
AP3A hydrolase; Ectonucleotide pyrophosphatase/phosphodiesterase family member 4

ALTERNATIVE UPACC:
Q9Y6X5; A8K5G1; Q7L2N1

BACKGROUND:
The enzyme Bis(5'-adenosyl)-triphosphatase ENPP4, with alternative names AP3A hydrolase and Ectonucleotide pyrophosphatase/phosphodiesterase family member 4, is pivotal in the hydrolysis of extracellular Ap3A and Ap4A. This action results in the release of AMP, ADP, and ATP, substances that contribute to the proliferation of vascular smooth muscle cells and play a role in coagulation processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Bis(5'-adenosyl)-triphosphatase ENPP4 offers a promising avenue for the development of novel therapeutic approaches, particularly in the management of vascular and coagulation disorders, by leveraging its unique enzymatic activities.

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