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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P07477
UPID:
TRY1_HUMAN
Alternative names:
Anionic trypsin I; Anionic trypsin-I; Beta-trypsin; Cationic trypsinogen; Pretrypsinogen I; Trypsin I; Trypsin-1
Alternative UPACC:
P07477; A1A509; A6NJ71; B2R5I5; Q5NV57; Q7M4N3; Q7M4N4; Q92955; Q9HAN4; Q9HAN5; Q9HAN6; Q9HAN7
Background:
Serine protease 1, known by alternative names such as Anionic trypsin I and Cationic trypsinogen, plays a crucial role in protein digestion. This enzyme, encoded by the gene with accession number P07477, exhibits specificity for various synthetic substrates, indicating its versatile catalytic activity. Its activity is pivotal in the conversion of dietary proteins into peptides, a process essential for human nutrition and metabolism.
Therapeutic significance:
The association of Serine protease 1 with hereditary pancreatitis underscores its clinical importance. This condition, marked by severe pancreas inflammation and maldigestion, highlights the enzyme's role beyond digestion. Understanding the enzyme's function could pave the way for innovative treatments targeting the underlying genetic variants, offering hope for patients suffering from this debilitating disease.