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.
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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NQ11
UPID:
AT132_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NQ11; O75700; Q5JXY1; Q5JXY2; Q6S9Z9
Background:
Polyamine-transporting ATPase 13A2 plays a pivotal role in cellular processes, including lysosomal polyamine export, intracellular cation homeostasis, and neuronal integrity maintenance. It is involved in zinc and manganese detoxification, mitochondrial stress response, and autophagy-lysosome pathway regulation. This protein also influences lipid homeostasis and exosome secretion.
Therapeutic significance:
Linked to Kufor-Rakeb syndrome and Spastic paraplegia 78, Polyamine-transporting ATPase 13A2's understanding could pave the way for innovative treatments for these neurodegenerative disorders. Its role in cellular protection and maintenance mechanisms highlights its potential as a therapeutic target.