Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P06213
UPID:
INSR_HUMAN
Alternative names:
-
Alternative UPACC:
P06213; Q17RW0; Q59H98; Q9UCB7; Q9UCB8; Q9UCB9
Background:
The Insulin receptor, a pivotal receptor tyrosine kinase, orchestrates the insulin-mediated regulation of glucose and lipid metabolism, cell growth, and differentiation. It achieves this through the phosphorylation of various substrates, activating critical pathways like PI3K-AKT/PKB and Ras-MAPK, essential for metabolic actions and cell proliferation.
Therapeutic significance:
Linked to diseases such as Rabson-Mendenhall syndrome, Leprechaunism, Type 2 diabetes mellitus, familial hyperinsulinemic hypoglycemia, and insulin-resistant diabetes with acanthosis nigricans, the Insulin receptor's role in insulin resistance syndromes highlights its potential as a target for therapeutic intervention.