Focused On-demand Library for tRNA wybutosine-synthesizing protein 2 homolog

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 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

Q53H54

UPID:

TYW2_HUMAN

Alternative names:

tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase

Alternative UPACC:

Q53H54; Q6PKB9; Q96F21; Q9NWK6

Background:

The tRNA wybutosine-synthesizing protein 2 homolog, also known as tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase, plays a crucial role in the wybutosine biosynthesis pathway. This enzyme is responsible for the transfer of the acp group from S-adenosyl-L-methionine to 4-demethylwyosine, leading to the production of wybutosine-86, a hypermodified guanosine found adjacent to the anticodon of eukaryotic phenylalanine tRNA.

Therapeutic significance:

Understanding the role of tRNA wybutosine-synthesizing protein 2 homolog could open doors to potential therapeutic strategies.