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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 stands out due to several important features:
partner
Reaxense
upacc
Q9NQ38
UPID:
ISK5_HUMAN
Alternative names:
Lympho-epithelial Kazal-type-related inhibitor
Alternative UPACC:
Q9NQ38; A8MYE8; B7WPB7; D6REN5; O75770; Q3LX95; Q3LX96; Q3LX97; Q96PP2; Q96PP3
Background:
Serine protease inhibitor Kazal-type 5, also known as Lympho-epithelial Kazal-type-related inhibitor, plays a crucial role in the anti-inflammatory and antimicrobial protection of mucous epithelia. It regulates the activity of defense-activating and desquamation-involved proteases, including inhibiting KLK5, KLK7, KLK14, CASP14, and trypsin in a pH-dependent manner. This protein is vital for maintaining the integrity and protective barrier function of the skin.
Therapeutic significance:
The protein's involvement in Netherton syndrome, a condition characterized by congenital ichthyosis, hair shaft abnormalities, and immune system anomalies, highlights its therapeutic significance. Understanding the role of Serine protease inhibitor Kazal-type 5 could open doors to potential therapeutic strategies for treating this syndrome and improving patient outcomes.