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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P17538
UPID:
CTRB1_HUMAN
Alternative names:
-
Alternative UPACC:
P17538
Background:
Chymotrypsinogen B, a precursor to the digestive enzyme chymotrypsin, plays a crucial role in the breakdown of proteins in the digestive system. This enzyme is synthesized in the pancreas and activated in the small intestine, where it contributes to the digestion process by cleaving proteins at specific locations.
Therapeutic significance:
Understanding the role of Chymotrypsinogen B could open doors to potential therapeutic strategies. Its pivotal function in protein digestion makes it a key target for studying digestive disorders and developing treatments that can enhance or regulate the digestion process.