Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 17-like protein 24

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q0WX57

UPID:

U17LO_HUMAN

Alternative names:

Deubiquitinating enzyme 17; Ubiquitin thioesterase 17; Ubiquitin-specific-processing protease 17

Alternative UPACC:

Q0WX57; A8MRA9; Q0WX56; Q3BEM1

Background:

Ubiquitin carboxyl-terminal hydrolase 17-like protein 24, also known as Deubiquitinating enzyme 17, Ubiquitin thioesterase 17, and Ubiquitin-specific-processing protease 17, plays a pivotal role in cellular processes. It functions as a deubiquitinating enzyme, meticulously removing conjugated ubiquitin from specific proteins. This action is crucial for regulating cell proliferation, cell cycle progression, apoptosis, cell migration, and the cellular response to viral infections.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 17-like protein 24 could open doors to potential therapeutic strategies. Its involvement in key cellular processes underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.