Focused On-demand Library for S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1B

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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

Q6NUM6

UPID:

TYW1B_HUMAN

Alternative names:

Radical S-adenosyl methionine and flavodoxin domain-containing protein 2; tRNA wybutosine-synthesizing protein 1 homolog B

Alternative UPACC:

Q6NUM6; A0A087WZB2; A6NG09; B4DFY2; Q3KQX2

Background:

S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1B, also known as Radical S-adenosyl methionine and flavodoxin domain-containing protein 2 or tRNA wybutosine-synthesizing protein 1 homolog B, plays a crucial role in the wybutosine biosynthesis pathway. This pathway is essential for the modification of guanosine in eukaryotic phenylalanine tRNA, leading to the production of wybutosine, a tricyclic base that enhances the accuracy of protein synthesis by the ribosome.

Therapeutic significance:

Understanding the role of S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1B could open doors to potential therapeutic strategies by elucidating its contribution to the fundamental processes of protein synthesis and cellular function.