Focused On-demand Library for tRNA-specific adenosine deaminase 1

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9BUB4

UPID:

ADAT1_HUMAN

Alternative names:

tRNA-specific adenosine-37 deaminase

Alternative UPACC:

Q9BUB4; Q9NVB7; Q9UNG3

Background:

The tRNA-specific adenosine deaminase 1, also known as tRNA-specific adenosine-37 deaminase, plays a crucial role in the modification of tRNA. By specifically deaminating adenosine-37 to inosine in tRNA-Ala, it ensures the proper functioning of protein synthesis. This enzymatic activity is vital for the accuracy and efficiency of protein translation, impacting cellular health and organismal development.

Therapeutic significance:

Understanding the role of tRNA-specific adenosine deaminase 1 could open doors to potential therapeutic strategies. Its precise function in tRNA modification suggests a foundational role in protein synthesis, offering a novel angle for targeting diseases through the modulation of protein translation mechanisms.