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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
D6RA61
UPID:
U17LM_HUMAN
Alternative names:
-
Alternative UPACC:
D6RA61
Background:
Ubiquitin carboxyl-terminal hydrolase 17-like protein 22 plays a pivotal role in cellular processes by removing ubiquitin from specific proteins. This deubiquitinating activity is crucial for regulating cell proliferation, cell cycle progression, apoptosis, cell migration, and responses to viral infections.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 17-like protein 22 could open doors to potential therapeutic strategies.