Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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.