Focused On-demand Library for GPI ethanolamine phosphate transferase 3

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.


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 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.


Our high-tech, dedicated method is applied to construct targeted 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
Q8TEQ8

UPID:
PIGO_HUMAN

ALTERNATIVE NAMES:
Phosphatidylinositol-glycan biosynthesis class O protein

ALTERNATIVE UPACC:
Q8TEQ8; B1AML3; Q6P154; Q6UX80; Q8TDS8; Q96CS9; Q9BVN9; Q9Y4B0

BACKGROUND:
The GPI ethanolamine phosphate transferase 3 enzyme, alternatively known as Phosphatidylinositol-glycan biosynthesis class O protein, is integral to the biosynthesis of glycosylphosphatidylinositol-anchors. It specifically transfers ethanolamine phosphate to the GPI third mannose, crucial for anchoring proteins to the cell membrane.

THERAPEUTIC SIGNIFICANCE:
Linked to Hyperphosphatasia with impaired intellectual development syndrome 2, characterized by intellectual disability and elevated serum alkaline phosphatase, GPI ethanolamine phosphate transferase 3's function highlights its potential as a target for therapeutic intervention in treating this autosomal recessive disorder.

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