Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P55212
UPID:
CASP6_HUMAN
Alternative names:
Apoptotic protease Mch-2
Alternative UPACC:
P55212; Q9BQE7
Background:
Caspase-6, known as Apoptotic protease Mch-2, is a cysteine protease pivotal in programmed cell death, axonal degeneration, and innate immunity. It facilitates apoptosis by cleaving nuclear proteins like NUMA1 and lamin A, essential for nuclear disassembly. Beyond apoptosis, Caspase-6 is involved in liver damage regulation, intrinsic apoptosis through RIPK1 cleavage, and transcription factor processing. It also plays a crucial role in defense against viruses by mediating PANoptosis, a unique cell death pathway.
Therapeutic significance:
Understanding the role of Caspase-6 could open doors to potential therapeutic strategies.