Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BQG2
UPID:
NUD12_HUMAN
Alternative names:
NADH pyrophosphatase NUDT12; Nucleoside diphosphate-linked moiety X motif 12
Alternative UPACC:
Q9BQG2; B3KUW2; B4E1W3; Q8TAL7
Background:
NAD-capped RNA hydrolase NUDT12, also known as NADH pyrophosphatase NUDT12 or Nucleoside diphosphate-linked moiety X motif 12, plays a crucial role in cellular metabolism. It specifically targets mRNAs with a nicotinamide adenine dinucleotide (NAD) cap, facilitating their decay by hydrolyzing the diphosphate linkage. This action not only regulates mRNA stability but also impacts nutrient stress responses and oxidative metabolism within peroxisomes.
Therapeutic significance:
Understanding the role of NAD-capped RNA hydrolase NUDT12 could open doors to potential therapeutic strategies. Its involvement in mRNA decay and oxidative metabolism suggests a pivotal function in cellular homeostasis and stress responses, making it a compelling target for drug discovery.