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.
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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6UWY2
UPID:
PRS57_HUMAN
Alternative names:
Neutrophil serine protease 4; Serine protease 1-like protein 1
Alternative UPACC:
Q6UWY2; B2RNW8
Background:
Serine protease 57, also known as Neutrophil serine protease 4 and Serine protease 1-like protein 1, is a specialized enzyme that exhibits a preference for cleaving after Arg residues. Its unique ability to also target citrulline and methylarginine residues highlights its versatile catalytic activity, essential for various biological processes.
Therapeutic significance:
Understanding the role of Serine protease 57 could open doors to potential therapeutic strategies. Its precise enzymatic function suggests a pivotal role in physiological pathways, making it a compelling target for drug discovery efforts aimed at modulating its activity for therapeutic benefits.