Focused On-demand Library for GPI-anchor transamidase

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q92643

UPID:
GPI8_HUMAN

ALTERNATIVE NAMES:
GPI8 homolog; Phosphatidylinositol-glycan biosynthesis class K protein

ALTERNATIVE UPACC:
Q92643; B2R7K3; B4E2M3; O14822; Q5TG77

BACKGROUND:
GPI-anchor transamidase, known for its alternative names GPI8 homolog and Phosphatidylinositol-glycan biosynthesis class K protein, is integral in mediating GPI anchoring in the endoplasmic reticulum. This enzyme facilitates the transfer of GPI to proteins, a critical step for the functional expression of GPI-anchored proteins on the cell surface.

THERAPEUTIC SIGNIFICANCE:
Linked to a rare neurodevelopmental disorder with symptoms including global developmental delay and epilepsy, the GPI-anchor transamidase's dysfunction highlights its potential as a therapeutic target. Exploring the enzyme's role could lead to novel interventions for this and related neurological conditions.

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