AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitochondrial tRNA-specific 2-thiouridylase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

O75648

UPID:

MTU1_HUMAN

Alternative names:

MTO2 homolog

Alternative UPACC:

O75648; A8K3U7; Q05C99; Q5W9C8; Q66K31; Q6ICC3; Q9NWC1

Background:

Mitochondrial tRNA-specific 2-thiouridylase 1, also known as MTO2 homolog, plays a crucial role in mitochondrial function by catalyzing the 2-thiolation of uridine at the wobble position of mitochondrial tRNA. This enzymatic activity is essential for the formation of 5-taurinomethyl-2-thiouridine at the wobble position, a modification necessary for proper mitochondrial tRNA function and protein synthesis.

Therapeutic significance:

The protein is implicated in diseases such as aminoglycoside-induced deafness and transient infantile liver failure, highlighting its potential as a target for therapeutic intervention. Understanding the role of Mitochondrial tRNA-specific 2-thiouridylase 1 could open doors to potential therapeutic strategies, especially in mitigating the effects of mitochondrial mutations and improving mitochondrial function.

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