AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutamyl-tRNA(Gln) amidotransferase subunit C, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O43716

UPID:

GATC_HUMAN

Alternative names:

Protein 15E1.2

Alternative UPACC:

O43716; B3KSU7; Q3B824; Q3KNR8

Background:

Glutamyl-tRNA(Gln) amidotransferase subunit C, mitochondrial, also known as Protein 15E1.2, plays a crucial role in mitochondrial protein synthesis. It ensures the correct formation of Gln-tRNA(Gln) by transamidating misacylated Glu-tRNA(Gln) in the presence of glutamine and ATP. This process is vital for the mitochondrial translation machinery, impacting cellular energy production.

Therapeutic significance:

The protein is linked to Combined oxidative phosphorylation deficiency 42, a severe mitochondrial disorder manifesting in infancy with symptoms like cardiomyopathy, respiratory insufficiency, and lactic acidosis. Understanding the role of Glutamyl-tRNA(Gln) amidotransferase subunit C could open doors to potential therapeutic strategies for this and related mitochondrial diseases.

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