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 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.
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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
A1L453
UPID:
PRS38_HUMAN
Alternative names:
Marapsin-2
Alternative UPACC:
A1L453; Q7RTY6
Background:
Serine protease 38, also known as Marapsin-2, is a protein encoded by the gene with the accession number A1L453. It belongs to the serine protease family, enzymes known for their ability to cleave peptide bonds in proteins. Serine proteases play critical roles in various biological processes, including digestion, immune response, and blood coagulation.
Therapeutic significance:
Understanding the role of Serine protease 38 could open doors to potential therapeutic strategies. Its involvement in key biological processes suggests that modulating its activity could offer new avenues for treating diseases where these processes are dysregulated.