AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for tRNA-specific adenosine deaminase 2

Available from Reaxense
Predicted by Alphafold

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.

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.

Our high-tech, dedicated method is applied to construct 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

Q7Z6V5

UPID:

ADAT2_HUMAN

Alternative names:

Deaminase domain-containing protein 1; tRNA-specific adenosine-34 deaminase subunit ADAT2

Alternative UPACC:

Q7Z6V5; A6NL12; B3KWY3; Q7Z327; Q8IY39

Background:

tRNA-specific adenosine deaminase 2, also known as Deaminase domain-containing protein 1 or ADAT2, plays a crucial role in the modification of adenosine-34 to inosine in tRNAs. This enzymatic activity is vital for the proper decoding of genetic information during protein synthesis.

Therapeutic significance:

Understanding the role of tRNA-specific adenosine deaminase 2 could open doors to potential therapeutic strategies. Its pivotal function in protein synthesis underscores its importance in cellular biology and disease mechanisms.

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