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.
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 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.
We employ our advanced, specialised process to create 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
O43464
UPID:
HTRA2_HUMAN
Alternative names:
High temperature requirement protein A2; Omi stress-regulated endoprotease; Serine protease 25; Serine proteinase OMI
Alternative UPACC:
O43464; Q9HBZ4; Q9P0Y3; Q9P0Y4
Background:
Serine protease HTRA2, mitochondrial, also known as High temperature requirement protein A2, plays a crucial role in cellular processes through its proteolytic activity against beta-casein. It is involved in apoptosis by either inhibiting BIRC proteins, thereby increasing caspase activity, or through a caspase-independent mechanism. Its ability to cleave THAP5 and promote degradation during apoptosis highlights its significance in cellular regulation.
Therapeutic significance:
The involvement of Serine protease HTRA2 in 3-methylglutaconic aciduria 8 and Parkinson disease 13 underscores its potential as a therapeutic target. Its role in these diseases, through mechanisms such as promoting cell death and being implicated in neurodegenerative processes, opens avenues for developing treatments aimed at modulating its activity.