Focused On-demand Library for 12S rRNA N4-methylcytidine (m4C) methyltransferase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

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

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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

A6NJ78

UPID:

MET15_HUMAN

Alternative names:

Methyltransferase 5 domain-containing protein 1; Methyltransferase-like protein 15

Alternative UPACC:

A6NJ78; A8MRS5; B7WNU2; Q3MHD3; Q8N601; Q8NBA7

Background:

The 12S rRNA N4-methylcytidine (m4C) methyltransferase, also known as Methyltransferase 5 domain-containing protein 1 or Methyltransferase-like protein 15, plays a crucial role in mitochondrial function. It is responsible for the methylation of position C839 in mitochondrial 12S rRNA, a process vital for the stabilization of 12S rRNA folding. This enzymatic action facilitates the assembly of the mitochondrial small ribosomal subunits, essential for protein synthesis within the mitochondria.

Therapeutic significance:

Understanding the role of 12S rRNA N4-methylcytidine (m4C) methyltransferase could open doors to potential therapeutic strategies. Its pivotal role in mitochondrial protein synthesis positions it as a key target for interventions aimed at mitochondrial diseases.