Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q00169
UPID:
PIPNA_HUMAN
Alternative names:
-
Alternative UPACC:
Q00169
Background:
The Phosphatidylinositol transfer protein alpha isoform plays a crucial role in cellular processes by facilitating the transfer of phospholipids between membranes. It exhibits a preference for phosphatidylinositol (PI) and phosphatidylcholine (PC), especially those with shorter and monosaturated acyl chains. This specificity influences membrane composition and fluidity, impacting cellular signaling and trafficking.
Therapeutic significance:
Understanding the role of Phosphatidylinositol transfer protein alpha isoform could open doors to potential therapeutic strategies. Its pivotal function in membrane dynamics and signaling pathways suggests that modulating its activity could offer new avenues for treating diseases where cellular signaling or membrane composition is disrupted.