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 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P07711
UPID:
CATL1_HUMAN
Alternative names:
Cathepsin L1; Major excreted protein
Alternative UPACC:
P07711; Q6IAV1; Q96QJ0
Background:
Procathepsin L, also known as Cathepsin L1 and Major excreted protein, is a thiol protease pivotal in lysosomal degradation, antigen processing, and bone remodeling. It facilitates the release of thyroid hormone thyroxine (T4) and processes proenkephalin into active neurotransmitters. Additionally, it plays a role in T cell selection, elastin degradation, and extracellular matrix regulation during inflammation. Its involvement in microbial infections includes aiding SARS-CoV and SARS-CoV-2 entry into host cells.
Therapeutic significance:
Understanding the role of Procathepsin L could open doors to potential therapeutic strategies.