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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q14249
UPID:
NUCG_HUMAN
Alternative names:
-
Alternative UPACC:
Q14249; Q5T281; Q9BSP2
Background:
Endonuclease G, mitochondrial, encoded by the gene with accession number Q14249, plays a pivotal role in DNA metabolism. It preferentially cleaves double-stranded 5-hydroxymethylcytosine-modified DNA, enhancing the specificity and efficiency of DNA cleavage. This protein exhibits a higher affinity for four-stranded Holliday junctions, promoting conservative recombination and autophagy through mTOR pathway suppression, facilitated by its interaction with YWHAG and phosphorylation-mediated DNA damage response.
Therapeutic significance:
Understanding the role of Endonuclease G, mitochondrial could open doors to potential therapeutic strategies.