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 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 use our state-of-the-art dedicated workflow for designing 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
Q9UKR0
UPID:
KLK12_HUMAN
Alternative names:
Kallikrein-like protein 5
Alternative UPACC:
Q9UKR0; Q9UKR1; Q9UKR2
Background:
Kallikrein-12, also known as Kallikrein-like protein 5, is a member of the kallikrein family, which plays a pivotal role in various physiological processes through the regulation of proteolysis. The precise functions of Kallikrein-12 are under investigation, highlighting its potential in biochemical research and clinical applications.
Therapeutic significance:
Understanding the role of Kallikrein-12 could open doors to potential therapeutic strategies. Its involvement in key biological pathways suggests a promising avenue for the development of novel treatments, emphasizing the importance of ongoing research in this area.