Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UGI9
UPID:
AAKG3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UGI9; Q4QQG8; Q4V779; Q9NRL1
Background:
The 5'-AMP-activated protein kinase subunit gamma-3 plays a pivotal role in cellular energy homeostasis. It is integral to the AMPK complex, which acts as an energy sensor, responding to ATP fluctuations by activating energy production and inhibiting energy consumption. This subunit is crucial for AMPK's ability to regulate metabolic pathways, including those of protein, carbohydrate, and lipid biosynthesis, as well as cell growth and proliferation. It also influences cellular polarity and actin cytoskeleton remodeling.
Therapeutic significance:
Understanding the role of 5'-AMP-activated protein kinase subunit gamma-3 could open doors to potential therapeutic strategies.