Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
Our high-tech, dedicated method is applied to construct targeted 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
Q9Y337
UPID:
KLK5_HUMAN
Alternative names:
Kallikrein-like protein 2; Stratum corneum tryptic enzyme
Alternative UPACC:
Q9Y337; A0A024R4G4; Q53ZR3; Q9HBG8
Background:
Kallikrein-5, also known as Kallikrein-like protein 2 and Stratum corneum tryptic enzyme, plays a crucial role in skin health, particularly in the process of desquamation. This process is essential for the shedding of dead skin cells, maintaining skin's outer barrier function and overall skin appearance.
Therapeutic significance:
Understanding the role of Kallikrein-5 could open doors to potential therapeutic strategies. Its involvement in the natural exfoliation process suggests its potential in treating skin conditions and improving skin health.