Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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
Q9Y6W3
UPID:
CAN7_HUMAN
Alternative names:
PalB homolog
Alternative UPACC:
Q9Y6W3
Background:
Calpain-7, also known as PalB homolog, is a unique member of the calpain family characterized by its calcium-regulated non-lysosomal thiol-protease activity. Unlike other calpains, Calpain-7's specific functions and mechanisms of action are less understood, making it a subject of ongoing research.
Therapeutic significance:
Understanding the role of Calpain-7 could open doors to potential therapeutic strategies. Its unique enzymatic activity suggests it may play a pivotal role in cellular processes, offering new avenues for drug discovery.