Focused On-demand Library for Damage-control phosphatase ARMT1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Our high-tech, dedicated method is applied to construct 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.







Alternative names:

Acidic residue methyltransferase 1; Protein-glutamate O-methyltransferase; Sugar phosphate phosphatase ARMT1

Alternative UPACC:

Q9H993; Q96FC6; Q9UFY5


Damage-control phosphatase ARMT1, also known as Acidic residue methyltransferase 1, Protein-glutamate O-methyltransferase, and Sugar phosphate phosphatase ARMT1, exhibits a unique enzymatic activity. It demonstrates phosphatase activity against substrates like fructose-1-phosphate and fructose-6-phosphate, suggesting a pivotal role in hexose phosphate metabolism. Additionally, ARMT1 has O-methyltransferase activity, capable of methylating glutamate residues on target proteins, including PCNA, which implicates it in the DNA damage response.

Therapeutic significance:

Understanding the role of Damage-control phosphatase ARMT1 could open doors to potential therapeutic strategies.

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