Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P56202
UPID:
CATW_HUMAN
Alternative names:
Lymphopain
Alternative UPACC:
P56202; Q86VT4
Background:
Cathepsin W, also known as Lymphopain, is a protein with a pivotal role in T-cell cytolytic activity. Its involvement extends to microbial infections, where it plays a crucial role during influenza virus infection in lung cells by acting at the virus entry stage from the late endosome.
Therapeutic significance:
Understanding the role of Cathepsin W could open doors to potential therapeutic strategies, especially in enhancing immune response and combating viral infections.