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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 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 is unique due to several crucial aspects:
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.