Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6UWB4
UPID:
PRS55_HUMAN
Alternative names:
Testis serine protease 1
Alternative UPACC:
Q6UWB4; E5RJX5
Background:
Serine protease 55, also known as Testis serine protease 1, is identified as a probable serine protease with a pivotal role in male fertility. It is instrumental in processes such as sperm migration and sperm-egg interaction, highlighting its significance in reproductive biology.
Therapeutic significance:
Understanding the role of Serine protease 55 could open doors to potential therapeutic strategies. Its crucial involvement in male fertility underscores its potential as a target for addressing reproductive health issues.