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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 utilise our cutting-edge, exclusive workflow to develop focused 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
P07478
UPID:
TRY2_HUMAN
Alternative names:
Anionic trypsinogen; Serine protease 2; Trypsin II
Alternative UPACC:
P07478
Background:
Trypsin-2, also known as Anionic Trypsinogen, Serine Protease 2, and Trypsin II, encoded by the gene with the accession number P07478, plays a crucial role in the digestive system. Specifically, in the ileum, Trypsin-2 is implicated in the processing of defensins, including DEFA5, which are key components in the body's defense against microbial infection.
Therapeutic significance:
Understanding the role of Trypsin-2 could open doors to potential therapeutic strategies. Its involvement in defensin processing suggests a significant function in immune response and intestinal health, making it a potential target for treatments aimed at enhancing mucosal defense mechanisms.