AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 28S rRNA (cytosine-C(5))-methyltransferase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q96P11

UPID:

NSUN5_HUMAN

Alternative names:

NOL1-related protein; NOL1/NOP2/Sun domain family member 5; Williams-Beuren syndrome chromosomal region 20A protein

Alternative UPACC:

Q96P11; B3KX04; B4DP79; G3V0G9; Q6ZUI8; Q96HT9; Q9NW70

Background:

The 28S rRNA (cytosine-C(5))-methyltransferase, also known as NOL1-related protein, NOL1/NOP2/Sun domain family member 5, and Williams-Beuren syndrome chromosomal region 20A protein, plays a crucial role in cellular function. It is an S-adenosyl-L-methionine-dependent methyltransferase that specifically methylates the C(5) position of cytosine 3782 in 28S rRNA. This methylation is essential for promoting protein translation, enhancing ribosome biogenesis and fidelity, without affecting them negatively.

Therapeutic significance:

Understanding the role of 28S rRNA (cytosine-C(5))-methyltransferase could open doors to potential therapeutic strategies.

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