Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 42

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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

Q9H9J4

UPID:

UBP42_HUMAN

Alternative names:

Deubiquitinating enzyme 42; Ubiquitin thioesterase 42; Ubiquitin-specific-processing protease 42

Alternative UPACC:

Q9H9J4; A2RUE3; B5MDA5; Q0VIN8; Q3C166; Q6P9B4

Background:

Ubiquitin carboxyl-terminal hydrolase 42, also known as Deubiquitinating enzyme 42, Ubiquitin thioesterase 42, and Ubiquitin-specific-processing protease 42, plays a pivotal role in spermatogenesis. Its enzymatic activity is crucial for the removal of ubiquitin from ubiquitinated proteins, a process essential for protein degradation and signaling.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 42 could open doors to potential therapeutic strategies. Its unique function in spermatogenesis highlights its importance in reproductive biology and offers a promising avenue for the development of treatments targeting reproductive health issues.