Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
Our high-tech, dedicated method is applied to construct 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q99895
UPID:
CTRC_HUMAN
Alternative names:
Caldecrin
Alternative UPACC:
Q99895; A8K082; O00765; Q9NUH5
Background:
Chymotrypsin-C, also known as Caldecrin, plays a crucial role in the digestive system by regulating the activation and degradation of trypsinogens and procarboxypeptidases. Its activity is essential for the proper breakdown of proteins in the digestive process, showcasing its chymotrypsin-type protease and hypocalcemic activities.
Therapeutic significance:
Given its pivotal role in digestive enzyme regulation, Chymotrypsin-C is directly linked to hereditary pancreatitis. This association is due to variants affecting the gene that diminish its protective trypsin-degrading activity, leading to pancreatitis. Understanding the role of Chymotrypsin-C could open doors to potential therapeutic strategies for treating hereditary pancreatitis.