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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BQR3
UPID:
PRS27_HUMAN
Alternative names:
Marapsin; Pancreasin
Alternative UPACC:
Q9BQR3
Background:
Serine protease 27, also known by its alternative names Marapsin and Pancreasin, is a protein encoded by the gene with the accession number Q9BQR3. This enzyme belongs to the serine protease family, known for their role in the cleavage of peptide bonds in proteins. Serine protease 27 is primarily expressed in the pancreas, suggesting a specialized function in digestive processes.
Therapeutic significance:
Understanding the role of Serine protease 27 could open doors to potential therapeutic strategies. Its specific function in the pancreas and potential involvement in digestive processes make it a target of interest for addressing digestive disorders and diseases.