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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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
Q6GPI1
UPID:
CTRB2_HUMAN
Alternative names:
-
Alternative UPACC:
Q6GPI1; A8K707
Background:
Chymotrypsinogen B2, a precursor to the digestive enzyme chymotrypsin, plays a crucial role in protein digestion. This enzyme, synthesized in the pancreas, is activated in the small intestine, contributing to the breakdown of proteins into amino acids and peptides, facilitating nutrient absorption and utilization.
Therapeutic significance:
Understanding the role of Chymotrypsinogen B2 could open doors to potential therapeutic strategies. Its pivotal function in protein digestion makes it a target for addressing digestive disorders and improving nutrient absorption, highlighting its importance in maintaining gastrointestinal health.