Focused On-demand Library for Uridine diphosphate glucose pyrophosphatase NUDT22

Focused On-demand Libraries - Reaxense Collaboration

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BRQ3

UPID:

NUD22_HUMAN

Alternative names:

Nucleoside diphosphate-linked moiety X motif 22

Alternative UPACC:

Q9BRQ3; C9JY06; Q71RD5

Background:

Uridine diphosphate glucose pyrophosphatase NUDT22, also known as Nucleoside diphosphate-linked moiety X motif 22, plays a crucial role in cellular metabolism. It hydrolyzes UDP-glucose to glucose 1-phosphate and UMP, as well as UDP-galactose to galactose 1-phosphate and UMP, with a preference for UDP-glucose. This enzymatic activity is vital for the regulation of sugar nucleotides levels within the cell, impacting various metabolic pathways.

Therapeutic significance:

Understanding the role of Uridine diphosphate glucose pyrophosphatase NUDT22 could open doors to potential therapeutic strategies. Its involvement in the regulation of cellular sugar levels suggests a possible link to metabolic disorders, making it a target of interest for drug discovery efforts aimed at modulating metabolic pathways.