AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for tRNA (cytosine(34)-C(5))-methyltransferase, mitochondrial

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9H649

UPID:

NSUN3_HUMAN

Alternative names:

NOL1/NOP2/Sun domain family member 3

Alternative UPACC:

Q9H649; Q6PG41; Q8IXG9; Q9H6M2

Background:

The tRNA (cytosine(34)-C(5))-methyltransferase, mitochondrial, also known as NOL1/NOP2/Sun domain family member 3, plays a crucial role in mitochondrial function by mediating methylation of cytosine to 5-methylcytosine at position 34 of mt-tRNA(Met). This modification is essential for the accurate translation of mitochondrial genes, facilitating the recognition of AUA in addition to AUG codons, thereby expanding codon recognition and ensuring efficient protein synthesis within mitochondria.

Therapeutic significance:

Given its pivotal role in mitochondrial gene translation, understanding the function of tRNA (cytosine(34)-C(5))-methyltransferase, mitochondrial, could open doors to potential therapeutic strategies for treating Combined oxidative phosphorylation deficiency 48, a severe mitochondrial disorder characterized by developmental delay, muscle weakness, and metabolic abnormalities.

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