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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UBX7
UPID:
KLK11_HUMAN
Alternative names:
Hippostasin; Serine protease 20; Trypsin-like protease
Alternative UPACC:
Q9UBX7; O75837; Q0WXX5; Q8IXD7; Q9NS65
Background:
Kallikrein-11, also known as Hippostasin, Serine protease 20, and Trypsin-like protease, is identified as a possible multifunctional protease. It exhibits high efficiency in cleaving 'bz-Phe-Arg-4-methylcoumaryl-7-amide', a recognized kallikrein substrate, and demonstrates weaker activity against other kallikrein and trypsin substrates. Its unique specificity for cleaving synthetic peptides after arginine residues, but not lysine, highlights its distinct enzymatic profile.
Therapeutic significance:
Understanding the role of Kallikrein-11 could open doors to potential therapeutic strategies. Its enzymatic specificity and multifunctional nature suggest its involvement in critical physiological processes, making it a target of interest for drug discovery efforts aimed at modulating its activity.