AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Uridine diphosphate glucose pyrophosphatase NUDT14

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

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

O95848

UPID:

NUD14_HUMAN

Alternative names:

Nucleoside diphosphate-linked moiety X motif 14

Alternative UPACC:

O95848; Q86SJ8

Background:

Uridine diphosphate glucose pyrophosphatase NUDT14, also known as Nucleoside diphosphate-linked moiety X motif 14, plays a crucial role in cellular metabolism by hydrolyzing UDP-glucose to glucose 1-phosphate and UMP, as well as ADP-ribose to ribose 5-phosphate and AMP. Its primary physiological substrate is UDP-glucose, showcasing limited activity on other substrates like ADP-glucose and GDP-glucose.

Therapeutic significance:

Understanding the role of Uridine diphosphate glucose pyrophosphatase NUDT14 could open doors to potential therapeutic strategies. Its pivotal function in metabolic processes positions it as a key target for drug discovery, aiming to modulate metabolic pathways for therapeutic benefits.

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