Focused On-demand Library for NAD-capped RNA hydrolase NUDT12

Focused On-demand Libraries - Reaxense Collaboration

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 top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.