Focused On-demand Library for EGF domain-specific O-linked N-acetylglucosamine transferase

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised 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
Q5NDL2

UPID:
EOGT_HUMAN

ALTERNATIVE NAMES:
Extracellular O-linked N-acetylglucosamine transferase

ALTERNATIVE UPACC:
Q5NDL2; A8K2U1; B4DFH5; L7X1M5; Q6MZY0; Q6P985; Q6ZTV0

BACKGROUND:
EGF domain-specific O-linked N-acetylglucosamine transferase, alternatively known as Extracellular O-linked N-acetylglucosamine transferase, is crucial for the post-translational modification of proteins. It specifically adds N-acetylglucosamine to serine or threonine residues within extracellular proteins, targeting the EGF-like domains. This enzymatic activity is essential for the proper functioning of these proteins.

THERAPEUTIC SIGNIFICANCE:
The protein's mutation is implicated in Adams-Oliver syndrome 4, characterized by skin and limb abnormalities. The connection between gene variants of EGF domain-specific O-linked N-acetylglucosamine transferase and this syndrome underscores the protein's significance in disease. Exploring its functions further could lead to novel therapeutic approaches for affected individuals.

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