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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q86T03
UPID:
PP4P1_HUMAN
Alternative names:
PtdIns-4,5-P2 4-Ptase I; Transmembrane protein 55B
Alternative UPACC:
Q86T03; B2RA35; Q86U09; Q8WUC0; Q9BU67; Q9NSU8
Background:
Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase, also known as Transmembrane protein 55B, plays a crucial role in cellular processes by catalyzing the hydrolysis of phosphatidylinositol-4,5-bisphosphate to phosphatidylinositol-4-phosphate. This enzyme is selective, not acting on other phosphoinositides, and is involved in lysosomal positioning, V-ATPase complex assembly, mTORC1 activation, and potentially in cholesterol metabolism regulation.
Therapeutic significance:
Understanding the role of Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase could open doors to potential therapeutic strategies.