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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UHH9
UPID:
IP6K2_HUMAN
Alternative names:
P(i)-uptake stimulator
Alternative UPACC:
Q9UHH9; A8K3B1; B4E3G6; G8JLL6; Q6P0N8; Q9BSZ6; Q9BUW3; Q9H4P7; Q9NT63; Q9UFU6
Background:
Inositol hexakisphosphate kinase 2, also known as a P(i)-uptake stimulator, plays a crucial role in cellular processes by converting inositol hexakisphosphate (InsP6) to diphosphoinositol pentakisphosphate (InsP7/PP-InsP5). This enzymatic activity is pivotal for the regulation of inositol phosphate signaling pathways, which are involved in a myriad of cellular functions.
Therapeutic significance:
Understanding the role of Inositol hexakisphosphate kinase 2 could open doors to potential therapeutic strategies. Its critical function in inositol phosphate signaling pathways suggests its involvement in cellular processes that, when dysregulated, could lead to disease states. Exploring this protein's mechanisms further could unveil novel targets for drug discovery.