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 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.
Our top-notch dedicated system is used to design specialised 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
P98198
UPID:
AT8B2_HUMAN
Alternative names:
ATPase class I type 8B member 2; P4-ATPase flippase complex alpha subunit ATP8B2
Alternative UPACC:
P98198; B4E3P4; Q6NT69; Q7Z486; Q96I43; Q96NQ7
Background:
Phospholipid-transporting ATPase ID, also known as ATPase class I type 8B member 2, is a pivotal component of the P4-ATPase flippase complex. This enzyme plays a crucial role in catalyzing the hydrolysis of ATP coupled with the translocation of phosphatidylcholine (PC) across the plasma membrane, thereby contributing to the maintenance of membrane lipid asymmetry.
Therapeutic significance:
Understanding the role of Phospholipid-transporting ATPase ID could open doors to potential therapeutic strategies.