AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GPI-anchor transamidase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

We employ our advanced, specialised process to create 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

Q92643

UPID:

GPI8_HUMAN

Alternative names:

GPI8 homolog; Phosphatidylinositol-glycan biosynthesis class K protein

Alternative UPACC:

Q92643; B2R7K3; B4E2M3; O14822; Q5TG77

Background:

The GPI-anchor transamidase, also known as GPI8 homolog and Phosphatidylinositol-glycan biosynthesis class K protein, plays a crucial role in the post-translational modification of proteins. It is essential for the attachment of GPI (glycosylphosphatidylinositol) anchors to proteins in the endoplasmic reticulum. This process is vital for the proper localization and function of GPI-anchored proteins.

Therapeutic significance:

The GPI-anchor transamidase is linked to a neurodevelopmental disorder characterized by hypotonia, cerebellar atrophy, and potential seizures. Understanding the role of GPI-anchor transamidase could open doors to potential therapeutic strategies for treating this disorder and improving patient outcomes.

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