Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
C9JVI0
UPID:
U17LB_HUMAN
Alternative names:
-
Alternative UPACC:
C9JVI0
Background:
Ubiquitin carboxyl-terminal hydrolase 17-like protein 11 plays a crucial role in cellular processes by acting as a deubiquitinating enzyme. It specifically removes conjugated ubiquitin from target proteins, influencing cell proliferation, cell cycle progression, apoptosis, cell migration, and response to viral infections.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 17-like protein 11 could open doors to potential therapeutic strategies.