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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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 employ our advanced, specialised process to create 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
P01033
UPID:
TIMP1_HUMAN
Alternative names:
Erythroid-potentiating activity; Fibroblast collagenase inhibitor; Tissue inhibitor of metalloproteinases 1
Alternative UPACC:
P01033; Q14252; Q9UCU1
Background:
Metalloproteinase inhibitor 1, known for its alternative names such as Erythroid-potentiating activity and Tissue inhibitor of metalloproteinases 1, plays a crucial role in inhibiting metalloproteinases by binding to their catalytic zinc cofactor. This protein is pivotal in regulating cell differentiation, migration, and apoptosis, and is involved in activating signaling cascades through CD63 and ITGB1, contributing to integrin signaling.
Therapeutic significance:
Understanding the role of Metalloproteinase inhibitor 1 could open doors to potential therapeutic strategies.