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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.