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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused 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.


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
Receptor.AI
 
UPACC
Q9H0R6

UPID:
GATA_HUMAN

ALTERNATIVE NAMES:
Glutaminyl-tRNA synthase-like protein 1

ALTERNATIVE UPACC:
Q9H0R6; Q5VWJ4; Q9HA60; Q9NV19

BACKGROUND:
The mitochondrial protein, Glutamyl-tRNA(Gln) amidotransferase subunit A, also known as Glutaminyl-tRNA synthase-like protein 1, is essential for mitochondrial function. It facilitates the formation of correctly charged Gln-tRNA(Gln), a key step in mitochondrial protein synthesis, by correcting misacylated Glu-tRNA(Gln) through a transamidation reaction.

THERAPEUTIC SIGNIFICANCE:
Linked to Combined oxidative phosphorylation deficiency 40, a disorder characterized by prenatal or infantile onset and a spectrum of severe symptoms, the protein's function highlights its potential as a target for therapeutic intervention. Exploring the mechanisms of Glutamyl-tRNA(Gln) amidotransferase subunit A could lead to breakthroughs in treating this fatal mitochondrial disease.

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