Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O60911
UPID:
CATL2_HUMAN
Alternative names:
Cathepsin U; Cathepsin V
Alternative UPACC:
O60911; O60233; Q2TB86; Q5T1U0
Background:
Cathepsin L2, also known as Cathepsin U or V, is a cysteine protease with a pivotal role in corneal physiology. This enzyme, encoded by the gene with the accession number O60911, is a member of the cathepsin family, which is known for its proteolytic activities in various biological processes.
Therapeutic significance:
Understanding the role of Cathepsin L2 could open doors to potential therapeutic strategies. Its critical function in corneal physiology suggests that it may be a target for treating corneal diseases, although direct associations with specific conditions are yet to be established.