Focused On-demand Library for GPI ethanolamine phosphate transferase 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated 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 top-notch dedicated system is used to design specialised 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
O95427

UPID:
PIGN_HUMAN

ALTERNATIVE NAMES:
MCD4 homolog; Phosphatidylinositol-glycan biosynthesis class N protein

ALTERNATIVE UPACC:
O95427; Q7L8F8; Q8TC01; Q9NT05

BACKGROUND:
The enzyme GPI ethanolamine phosphate transferase 1, known alternatively as MCD4 homolog or Phosphatidylinositol-glycan biosynthesis class N protein, is integral to the biosynthesis of glycosylphosphatidylinositol anchors. These anchors play a critical role in attaching proteins to the cell membrane, influencing cell signaling and interaction.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of GPI ethanolamine phosphate transferase 1 could open doors to potential therapeutic strategies for combating Multiple congenital anomalies-hypotonia-seizures syndrome 1, a disease caused by variants affecting this gene, highlighting its importance in medical research.

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