Focused On-demand Library for tRNA-dihydrouridine(20) synthase [NAD(P)+]-like

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9NX74

UPID:

DUS2L_HUMAN

Alternative names:

Dihydrouridine synthase 2; Up-regulated in lung cancer protein 8; tRNA-dihydrouridine synthase 2-like

Alternative UPACC:

Q9NX74; A8K3G3; Q4H4D9

Background:

tRNA-dihydrouridine(20) synthase [NAD(P)+]-like, also known as Dihydrouridine synthase 2 and Up-regulated in lung cancer protein 8, plays a crucial role in the modification of tRNA. It catalyzes the NADPH-dependent synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs. This enzyme also negatively regulates the activation of EIF2AK2/PKR, highlighting its importance in protein synthesis and cellular stress response mechanisms.

Therapeutic significance:

Understanding the role of tRNA-dihydrouridine(20) synthase [NAD(P)+]-like could open doors to potential therapeutic strategies. Its involvement in tRNA modification and interaction with key cellular stress pathways suggests its potential as a target in diseases where these processes are dysregulated.