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.
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 high-tech, dedicated method is applied to construct targeted 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
Q8NF86
UPID:
PRS33_HUMAN
Alternative names:
Serine protease EOS
Alternative UPACC:
Q8NF86; A6NNQ3; Q8N171
Background:
Serine protease 33, also known as Serine protease EOS, is characterized by its serine protease activity, specifically cleaving substrates before Arg residues. This enzymatic function is crucial for various biological processes, including digestion, immune response, and blood coagulation.
Therapeutic significance:
Understanding the role of Serine protease 33 could open doors to potential therapeutic strategies. Its unique amidolytic activity positions it as a key target for drug discovery, aiming to modulate its function in pathological conditions.