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.
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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P01133
UPID:
EGF_HUMAN
Alternative names:
-
Alternative UPACC:
P01133; B4DRK7; E7EVD2; E9PBF0; Q52LZ6
Background:
The Pro-epidermal growth factor (EGF) plays a pivotal role in cellular growth, proliferation, and differentiation. It activates epidermal growth factor receptor (EGFR) pathways, influencing various biological processes. Notably, it facilitates magnesium reabsorption in the kidneys and can induce neurite outgrowth, showcasing its diverse biological impact.
Therapeutic significance:
Hypomagnesemia 4, a disorder linked to mutations in the gene encoding Pro-epidermal growth factor, underscores the protein's clinical relevance. Understanding the role of Pro-epidermal growth factor could open doors to potential therapeutic strategies, particularly in managing renal magnesium handling and neurological development.