Focused On-demand Library for Peroxidasin homolog

Details

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q92626

UPID:
PXDN_HUMAN

ALTERNATIVE NAMES:
Melanoma-associated antigen MG50; Peroxidasin 1; Vascular peroxidase 1; p53-responsive gene 2 protein

ALTERNATIVE UPACC:
Q92626; A8QM65; D6W4Y0; Q4KMG2

BACKGROUND:
The Peroxidasin homolog protein, identified by alternative names such as Melanoma-associated antigen MG50 and Vascular peroxidase 1, is integral to maintaining basement membrane structure through the generation of sulfilimine cross-links in collagen IV. This enzymatic activity not only supports the assembly of essential ECM components like fibronectin and laminin but also promotes endothelial cell proliferation and survival, crucial for angiogenesis. Additionally, its ability to bind laminins underscores its significance in vascular development and repair.

THERAPEUTIC SIGNIFICANCE:
The association of Peroxidasin homolog with Anterior segment dysgenesis 7 underscores its therapeutic potential in addressing anterior eye defects and possibly other ECM and vascular-related disorders. Exploring the mechanisms by which Peroxidasin homolog contributes to ECM integrity and angiogenesis may reveal novel therapeutic avenues for diseases impacting the vascular system and eye development.

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