AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Uridine diphosphate glucose pyrophosphatase NUDT22

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.

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