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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P20151
UPID:
KLK2_HUMAN
Alternative names:
Glandular kallikrein-1; Tissue kallikrein-2
Alternative UPACC:
P20151; B4DU93; B4DUB0; F5H8L3; Q15946; Q9UJZ9
Background:
Kallikrein-2, also known as Glandular kallikrein-1 or Tissue kallikrein-2, plays a pivotal role in the kallikrein-kinin system. It is instrumental in cleaving Met-Lys and Arg-Ser bonds in kininogen, leading to the release of Lys-bradykinin. This process is crucial for regulating blood pressure, inflammation, and pain, showcasing the protein's significant impact on physiological processes.
Therapeutic significance:
Understanding the role of Kallikrein-2 could open doors to potential therapeutic strategies. Its involvement in critical physiological pathways highlights its potential as a target for developing treatments aimed at modulating blood pressure, inflammation, and pain management.