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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
C9JLJ4
UPID:
U17LD_HUMAN
Alternative names:
-
Alternative UPACC:
C9JLJ4
Background:
Ubiquitin carboxyl-terminal hydrolase 17-like protein 13 plays a pivotal role in cellular processes by acting as a deubiquitinating enzyme. It meticulously removes conjugated ubiquitin from specific proteins, thereby regulating cell proliferation, cell cycle progression, apoptosis, cell migration, and the cellular response to viral infections. This protein's ability to modulate ubiquitination is crucial for maintaining cellular homeostasis and responding to environmental cues.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 17-like protein 13 could open doors to potential therapeutic strategies. Its involvement in key cellular processes suggests that modulating its activity could offer new avenues for treating diseases related to cell cycle dysregulation, apoptosis, and viral infections.