Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H239
UPID:
MMP28_HUMAN
Alternative names:
Epilysin
Alternative UPACC:
Q9H239; Q96F04; Q96TE2
Background:
Matrix metalloproteinase-28, also known as Epilysin, is a crucial enzyme in the matrix metalloproteinase family, known for its ability to degrade casein. This protein plays a significant role in tissue homeostasis and repair, indicating its importance in maintaining the structural integrity of tissues.
Therapeutic significance:
Understanding the role of Matrix metalloproteinase-28 could open doors to potential therapeutic strategies. Its involvement in tissue homeostasis and repair highlights its potential as a target for developing treatments aimed at enhancing tissue regeneration and healing.