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.
We employ our advanced, specialised process to create 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 stands out due to several important features:
partner
Reaxense
upacc
O14735
UPID:
CDIPT_HUMAN
Alternative names:
Phosphatidylinositol synthase
Alternative UPACC:
O14735; B4DUV0; H3BTV1; Q6FGU1; Q6ZN70
Background:
CDP-diacylglycerol--inositol 3-phosphatidyltransferase, also known as Phosphatidylinositol synthase, plays a crucial role in the biosynthesis of phosphatidylinositol (PtdIns). This enzyme not only catalyzes the formation of PtdIns but also participates in the PtdIns:inositol exchange reaction, effectively managing cellular PtdIns levels. The unique exchange activity stems from the reverse action of PtdIns synthase, facilitated by the enzyme's tight binding to CMP.
Therapeutic significance:
Understanding the role of CDP-diacylglycerol--inositol 3-phosphatidyltransferase could open doors to potential therapeutic strategies. Its pivotal function in phospholipid metabolism suggests its importance in cellular functions and the potential impact on disease modulation.