Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 36

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.

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.

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

Q9P275

UPID:

UBP36_HUMAN

Alternative names:

Deubiquitinating enzyme 36; Ubiquitin thioesterase 36; Ubiquitin-specific-processing protease 36

Alternative UPACC:

Q9P275; Q05C98; Q05DD0; Q6IQ38; Q8NDM8; Q9NVC8

Background:

Ubiquitin carboxyl-terminal hydrolase 36, also known as Deubiquitinating enzyme 36, plays a pivotal role in cellular processes by regulating nucleolar structure, ribosomal RNA processing, and protein synthesis. It achieves this through deubiquitination of key proteins such as DHX33, NPM1, and FBL, enhancing their stability. Furthermore, it acts as a transcriptional repressor by deubiquitinating histone H2B, thereby influencing gene expression critical for cellular differentiation.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 36 could open doors to potential therapeutic strategies.