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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6ZSI9
UPID:
CAN12_HUMAN
Alternative names:
Calcium-activated neutral proteinase 12
Alternative UPACC:
Q6ZSI9
Background:
Calpain-12, known alternatively as Calcium-activated neutral proteinase 12, plays a pivotal role as a calcium-regulated non-lysosomal thiol-protease. This enzyme's activity is intricately linked to calcium levels within cells, highlighting its importance in calcium signaling pathways.
Therapeutic significance:
Understanding the role of Calpain-12 could open doors to potential therapeutic strategies. Its involvement in calcium-mediated processes suggests a broad impact on cellular functions, making it a compelling target for drug discovery efforts.