Focused On-demand Library for Peroxiredoxin-4

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.


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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop 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.


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
Q13162

UPID:
PRDX4_HUMAN

ALTERNATIVE NAMES:
Antioxidant enzyme AOE372; Peroxiredoxin IV; Thioredoxin peroxidase AO372; Thioredoxin-dependent peroxide reductase A0372; Thioredoxin-dependent peroxiredoxin 4

ALTERNATIVE UPACC:
Q13162; Q6FHT3

BACKGROUND:
Peroxiredoxin-4, with alternative names such as Thioredoxin-dependent peroxide reductase A0372, is a thiol-specific peroxidase. It detoxifies peroxides, contributing to cellular protection against oxidative damage and plays a role in the regulation of NF-kappa-B activation, a critical factor in immune response and cell survival.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Peroxiredoxin-4 offers a promising avenue for the development of novel therapeutic approaches. Its critical role in managing oxidative stress and modulating signaling pathways makes it a valuable target for drug discovery in conditions associated with oxidative stress.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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