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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 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
Q8NFP7
UPID:
NUD10_HUMAN
Alternative names:
Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 3-alpha; Diadenosine hexaphosphate hydrolase (AMP-forming); Nucleoside diphosphate-linked moiety X motif 10; hAps2
Alternative UPACC:
Q8NFP7; A8K7D7; D3DX69; Q86VK1; Q86VR0
Background:
Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, also known by alternative names such as Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 3-alpha, plays a crucial role in signal transduction. It is adept at cleaving beta-phosphate from diphosphate groups in PP-InsP5, and hydrolyzing dinucleoside oligophosphates, with Ap6A and Ap5A as preferred substrates, leading to the production of ADP, p4a, and ATP.
Therapeutic significance:
Understanding the role of Diphosphoinositol polyphosphate phosphohydrolase 3-alpha could open doors to potential therapeutic strategies.