Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BTU6
UPID:
P4K2A_HUMAN
Alternative names:
Phosphatidylinositol 4-kinase type II-alpha
Alternative UPACC:
Q9BTU6; D3DR59; Q9NSG8
Background:
Phosphatidylinositol 4-kinase type 2-alpha, also known as Phosphatidylinositol 4-kinase type II-alpha, plays a pivotal role in cellular processes by catalyzing the phosphorylation of phosphatidylinositol to phosphatidylinositol 4-phosphate. This reaction is crucial for endocytosis, Golgi function, protein sorting, and membrane trafficking, and supports prolonged survival of neurons.
Therapeutic significance:
Understanding the role of Phosphatidylinositol 4-kinase type 2-alpha could open doors to potential therapeutic strategies.