Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UMQ6
UPID:
CAN11_HUMAN
Alternative names:
Calcium-activated neutral proteinase 11
Alternative UPACC:
Q9UMQ6; B2RA64; Q5T3G1; Q8N4R5
Background:
Calpain-11, also known as Calcium-activated neutral proteinase 11, plays a pivotal role in cellular processes through its function as a calcium-regulated non-lysosomal thiol-protease. This enzyme is instrumental in the limited proteolysis of substrates that are crucial for cytoskeletal remodeling and signal transduction, highlighting its significance in cellular dynamics and communication.
Therapeutic significance:
Understanding the role of Calpain-11 could open doors to potential therapeutic strategies. Its involvement in critical cellular functions underscores the importance of exploring its mechanisms further to uncover novel therapeutic targets.