Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 17-like protein 5

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.

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.

Our top-notch dedicated system is used to design specialised 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

A8MUK1

UPID:

U17L5_HUMAN

Alternative names:

Deubiquitinating enzyme 17-like protein 5; Ubiquitin thioesterase 17-like protein 5; Ubiquitin-specific-processing protease 17-like protein 5

Alternative UPACC:

A8MUK1

Background:

Ubiquitin carboxyl-terminal hydrolase 17-like protein 5, also known as Deubiquitinating enzyme 17-like protein 5, plays a crucial role in cellular processes by removing conjugated ubiquitin from specific proteins. This action regulates cell proliferation, cell cycle progression, apoptosis, cell migration, and the cellular response to viral infection.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 17-like protein 5 could open doors to potential therapeutic strategies.