Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00443
UPID:
P3C2A_HUMAN
Alternative names:
Phosphoinositide 3-kinase-C2-alpha
Alternative UPACC:
O00443; B0LPH2; B4E2G4; Q14CQ9
Background:
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, also known as Phosphoinositide 3-kinase-C2-alpha, plays a pivotal role in cellular processes including insulin signaling, glucose uptake, and vesicle trafficking. It generates crucial second messengers, PtdIns3P and PtdIns(3,4)P2, influencing various intracellular pathways.
Therapeutic significance:
Linked to Oculoskeletodental syndrome, this protein's dysfunction reveals its critical role in human health. Understanding the role of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha could open doors to potential therapeutic strategies for this and related disorders.