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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P08254
UPID:
MMP3_HUMAN
Alternative names:
Matrix metalloproteinase-3; Transin-1
Alternative UPACC:
P08254; B2R8B8; Q3B7S0; Q6GRF8
Background:
Stromelysin-1, also known as Matrix metalloproteinase-3 or Transin-1, is a versatile enzyme with broad substrate specificity. It degrades various components of the extracellular matrix, activates growth factors, and plays a crucial role in tissue remodeling and repair. Its activity is pivotal in processes such as wound healing and angiogenesis.
Therapeutic significance:
Stromelysin-1's involvement in Coronary heart disease 6, through its role in atherosclerotic lesion formation and myocardial infarction, highlights its potential as a therapeutic target. Modulating its activity could offer new avenues for treating cardiovascular diseases, emphasizing the importance of understanding its biological functions.