Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 38

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q8NB14

UPID:

UBP38_HUMAN

Alternative names:

Deubiquitinating enzyme 38; HP43.8KD; Ubiquitin thioesterase 38; Ubiquitin-specific-processing protease 38

Alternative UPACC:

Q8NB14; B3KX93; Q3ZCV1; Q8NDF5; Q96DK6; Q96PZ6; Q9BY55

Background:

Ubiquitin carboxyl-terminal hydrolase 38, also known as Deubiquitinating enzyme 38, plays a pivotal role in cellular processes such as DNA repair, cell cycle regulation, and immune response. It is instrumental in the inhibition of type I interferon signaling, DNA damage response, and regulates MYC levels and cell proliferation. This enzyme is crucial for maintaining the balance of protein ubiquitination, a post-translational modification affecting protein stability and function.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 38 could open doors to potential therapeutic strategies. Its involvement in key cellular processes and regulation of protein ubiquitination presents it as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.