Focused On-demand Library for GPI mannosyltransferase 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q92521

UPID:

PIGB_HUMAN

Alternative names:

GPI mannosyltransferase III; Phosphatidylinositol-glycan biosynthesis class B protein

Alternative UPACC:

Q92521; Q53FF9; Q8WVN7

Background:

GPI mannosyltransferase 3, also known as GPI mannosyltransferase III and Phosphatidylinositol-glycan biosynthesis class B protein, plays a crucial role in glycosylphosphatidylinositol-anchor biosynthesis. This enzyme is responsible for transferring the third alpha-1,2-mannose to Man2-GlcN-acyl-PI during GPI precursor assembly, a key step in the biosynthesis of GPI anchors that are essential for attaching certain proteins to cell membranes.

Therapeutic significance:

The protein is implicated in Developmental and Epileptic Encephalopathy 80 (DEE80), a severe neurological disorder characterized by early-onset refractory seizures, neurodevelopmental impairment, and a poor prognosis. Understanding the role of GPI mannosyltransferase 3 could open doors to potential therapeutic strategies for treating DEE80 and related conditions.