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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UGJ0
UPID:
AAKG2_HUMAN
Alternative names:
H91620p
Alternative UPACC:
Q9UGJ0; Q53Y07; Q6NUI0; Q75MP4; Q9NUZ9; Q9UDN8; Q9ULX8
Background:
The 5'-AMP-activated protein kinase subunit gamma-2 (H91620p) is a pivotal component of the AMPK enzyme, a guardian of cellular energy status. This subunit is crucial for AMPK's ability to respond to changes in cellular energy levels by activating energy-producing pathways and inhibiting energy-consuming processes. Its role extends to regulating cellular polarity and remodeling the actin cytoskeleton.
Therapeutic significance:
Given its involvement in Wolff-Parkinson-White syndrome, familial hypertrophic cardiomyopathy, and lethal congenital glycogen storage disease of the heart, targeting H91620p offers a promising avenue for therapeutic intervention in these genetic disorders. Understanding the role of H91620p could open doors to potential therapeutic strategies.