Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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 stands out due to several important features:
partner
Reaxense
upacc
P25774
UPID:
CATS_HUMAN
Alternative names:
-
Alternative UPACC:
P25774; B4DWC9; D3DV05; Q5T5I0; Q6FHS5; Q9BUG3
Background:
Cathepsin S, encoded by the gene with accession number P25774, is a thiol protease pivotal in the immune response. It plays a crucial role in the processing of the invariant chain from MHC class II molecules, facilitating MHC class II antigen presentation. This process is essential for the adaptive immune system to recognize and respond to foreign antigens.
Therapeutic significance:
Understanding the role of Cathepsin S could open doors to potential therapeutic strategies. Its critical function in antigen presentation suggests that modulation of Cathepsin S activity could influence immune responses, making it a target of interest in autoimmune diseases and cancer immunotherapy.