Focused On-demand Library for tRNA-dihydrouridine(20a/20b) 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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O95620

UPID:

DUS4L_HUMAN

Alternative names:

pp35; tRNA-dihydrouridine synthase 4-like

Alternative UPACC:

O95620; B4DLX0; Q2NKK1

Background:

The tRNA-dihydrouridine(20a/20b) synthase [NAD(P)+]-like, also known as pp35 and tRNA-dihydrouridine synthase 4-like, plays a crucial role in the post-transcriptional modification of tRNA. It catalyzes the synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs, which is essential for the proper folding and function of tRNA molecules.

Therapeutic significance:

Understanding the role of tRNA-dihydrouridine(20a/20b) synthase [NAD(P)+]-like could open doors to potential therapeutic strategies. Its involvement in the fundamental process of protein synthesis positions it as a key target for drug discovery, aiming to modulate protein production in various diseases.