Focused On-demand Library for GPI ethanolamine phosphate transferase 1

Focused On-demand Libraries - Reaxense 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 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 our associate 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Reaxense

upacc

O95427

UPID:

PIGN_HUMAN

Alternative names:

MCD4 homolog; Phosphatidylinositol-glycan biosynthesis class N protein

Alternative UPACC:

O95427; Q7L8F8; Q8TC01; Q9NT05

Background:

GPI ethanolamine phosphate transferase 1, also known as MCD4 homolog and Phosphatidylinositol-glycan biosynthesis class N protein, plays a crucial role in glycosylphosphatidylinositol-anchor biosynthesis. It is responsible for transferring ethanolamine phosphate to the glycosylphosphatidylinositol precursor, a key step in the synthesis of GPI-anchors, which are essential for cell surface protein localization.

Therapeutic significance:

The protein is linked to Multiple congenital anomalies-hypotonia-seizures syndrome 1, a severe disorder affecting the nervous and other systems, underscoring the therapeutic potential of targeting GPI ethanolamine phosphate transferase 1 in related pathologies.