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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P14091
UPID:
CATE_HUMAN
Alternative names:
-
Alternative UPACC:
P14091; Q5TZ01; Q5TZ02; Q9NY58; Q9UCE3; Q9UCE4
Background:
Cathepsin E, encoded by the gene with accession number P14091, is a protein that may play a crucial role in immune function. It is thought to be involved in the processing of antigenic peptides during MHC class II-mediated antigen presentation, a key process in the immune response. Additionally, Cathepsin E might contribute to activation-induced lymphocyte depletion in the thymus and to neuronal degeneration and glial cell activation in the brain.
Therapeutic significance:
Understanding the role of Cathepsin E could open doors to potential therapeutic strategies. Its involvement in immune processes and neurological conditions suggests that targeting Cathepsin E could offer new avenues for treating diseases related to these functions.