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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.
Fig. 1. The sreening workflow of Receptor.AI
This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P35568
UPID:
IRS1_HUMAN
Alternative names:
-
Alternative UPACC:
P35568
Background:
Insulin receptor substrate 1 plays a pivotal role in mediating cellular responses to insulin. It acts as a critical interface, engaging in insulin signal transduction by interacting with various proteins containing SH2 domains, such as the phosphatidylinositol 3-kinase p85 subunit and GRB2. This interaction is essential for the activation of phosphatidylinositol 3-kinase, a key step in insulin signaling.
Therapeutic significance:
Given its central role in insulin signaling, Insulin receptor substrate 1 is directly implicated in Type 2 diabetes mellitus, a condition characterized by insulin resistance and metabolic syndrome. Understanding the molecular mechanisms of this protein's action offers a promising avenue for developing targeted therapies aimed at improving insulin sensitivity and managing Type 2 diabetes.