Focused On-demand Library for tRNA pseudouridine synthase Pus10

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

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

Q3MIT2

UPID:

PUS10_HUMAN

Alternative names:

Coiled-coil domain-containing protein 139; tRNA pseudouridine 55 synthase; tRNA pseudouridylate synthase; tRNA-uridine isomerase

Alternative UPACC:

Q3MIT2; Q5JPJ5; Q96MI8

Background:

tRNA pseudouridine synthase Pus10, also known as Coiled-coil domain-containing protein 139, plays a pivotal role in cellular function through its diverse activities in miRNA processing and tRNA modification. In the cytoplasm, it catalyzes the synthesis of pseudouridine in tRNAs, enhancing their stability and function, a process further influenced by 1-methyladenosine. Distinctly, in the nucleus, Pus10 binds and processes primary microRNAs, independent of its pseudouridylate synthase activity, and modulates TRAIL/TNFSF10-induced cell death.

Therapeutic significance:

Understanding the role of tRNA pseudouridine synthase Pus10 could open doors to potential therapeutic strategies, particularly in enhancing the precision of RNA-based treatments and modulating cell death pathways in diseases.