Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9BW91
UPID:
NUDT9_HUMAN
Alternative names:
ADP-ribose diphosphatase; ADP-ribose phosphohydrolase; Adenosine diphosphoribose pyrophosphatase; Nucleoside diphosphate-linked moiety X motif 9
Alternative UPACC:
Q9BW91; Q8NBN1; Q8NCB9; Q8NG25
Background:
ADP-ribose pyrophosphatase, mitochondrial, also known by alternative names such as ADP-ribose diphosphatase and Adenosine diphosphoribose pyrophosphatase, plays a crucial role in cellular metabolism. It hydrolyzes ADP-ribose (ADPR) to AMP and ribose 5'-phosphate, a process vital for maintaining cellular energy balance and DNA repair mechanisms.
Therapeutic significance:
Understanding the role of ADP-ribose pyrophosphatase, mitochondrial could open doors to potential therapeutic strategies. Its involvement in key cellular processes makes it a promising target for drug discovery, aiming to modulate its activity in diseases where energy metabolism and DNA repair are compromised.