Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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.


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


 

Fig. 1. The screening 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
Receptor.AI
 
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:
12S rRNA N4-methylcytidine (m4C) methyltransferase, known alternatively as Methyltransferase 5 domain-containing protein 1 or Methyltransferase-like protein 15, is integral to mitochondrial health. By methylating position C839 in mitochondrial 12S rRNA, it ensures the proper folding and stability of 12S rRNA. This is crucial for the assembly of mitochondrial small ribosomal subunits, thereby supporting efficient mitochondrial protein synthesis.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of 12S rRNA N4-methylcytidine (m4C) methyltransferase unveils potential avenues for therapeutic development. Given its central role in mitochondrial function, targeting this protein could lead to novel treatments for mitochondrial disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.