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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
A6NHC0
UPID:
CAN8_HUMAN
Alternative names:
New calpain 2; Stomach-specific M-type calpain
Alternative UPACC:
A6NHC0; B2RXL2
Background:
Calpain-8, also known as New calpain 2 and Stomach-specific M-type calpain, is a calcium-regulated non-lysosomal thiol-protease. It plays a crucial role in membrane trafficking within gastric surface mucus cells, potentially influencing the membrane dynamics of mucus cells through interactions with coat protein. This protein is also involved in the proteolytic cleavage of the beta-subunit of the coatomer complex, suggesting a significant role in cellular processes.
Therapeutic significance:
Understanding the role of Calpain-8 could open doors to potential therapeutic strategies. Its involvement in membrane trafficking and proteolytic processes within gastric cells highlights its importance in gastrointestinal health and disease.