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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 utilise our cutting-edge, exclusive workflow to develop focused 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
O60331
UPID:
PI51C_HUMAN
Alternative names:
Type I phosphatidylinositol 4-phosphate 5-kinase gamma
Alternative UPACC:
O60331; B7Z9E7; C6GIJ7; C6GIJ8; Q7LE07
Background:
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma, a pivotal enzyme, catalyzes the formation of PtdIns(4,5)P2 from PtdIns(4)P, influencing cellular processes such as signal transduction and vesicle trafficking. Its role extends to actin cytoskeleton dynamics, cell adhesion, and motility, crucial for synaptic vesicle transport and focal adhesion dynamics. This protein is instrumental in cell migration, adhesion, and T-cell activation regulation.
Therapeutic significance:
Linked to Lethal congenital contracture syndrome 3, characterized by severe muscle atrophy and joint contractures, understanding Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma's role could unveil new therapeutic avenues.