Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 31

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

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

Q70CQ4

UPID:

UBP31_HUMAN

Alternative names:

Deubiquitinating enzyme 31; Ubiquitin thioesterase 31; Ubiquitin-specific-processing protease 31

Alternative UPACC:

Q70CQ4; Q6AW97; Q6ZTC0; Q6ZTN2; Q9ULL7

Background:

Ubiquitin carboxyl-terminal hydrolase 31, also known as Deubiquitinating enzyme 31, plays a crucial role in the ubiquitin-proteasome system. It is responsible for the hydrolysis of the peptide bond at the C-terminal Gly of ubiquitin, facilitating the processing of poly-ubiquitin precursors and ubiquitinated proteins. This enzyme's activity is pivotal in regulating protein degradation, a fundamental process in cellular homeostasis.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 31 could open doors to potential therapeutic strategies. Its involvement in protein degradation pathways highlights its potential as a target in diseases where these pathways are dysregulated.