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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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
O43861
UPID:
ATP9B_HUMAN
Alternative names:
ATPase class II type 9B
Alternative UPACC:
O43861; O60872; Q08AD8; Q08AD9
Background:
The Probable phospholipid-transporting ATPase IIB, also known as ATPase class II type 9B, plays a crucial role in cellular processes by maintaining phospholipid asymmetry in the plasma membrane. This protein is essential for the proper functioning of cells, facilitating the transport of phospholipids from one leaflet of the membrane bilayer to the other.
Therapeutic significance:
Understanding the role of Probable phospholipid-transporting ATPase IIB could open doors to potential therapeutic strategies. Its pivotal function in cellular homeostasis and membrane dynamics positions it as a key target for drug discovery, aiming to modulate membrane properties and cellular processes.