AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ribose-phosphate pyrophosphokinase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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.

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

P60891

UPID:

PRPS1_HUMAN

Alternative names:

PPRibP; Phosphoribosyl pyrophosphate synthase I

Alternative UPACC:

P60891; B1ALA8; B2R6T7; B4DNL6; D3DUX6; P09329

Background:

Ribose-phosphate pyrophosphokinase 1 (Ribose-phosphate pyrophosphokinase 1), also known as PPRibP, plays a pivotal role in nucleotide synthesis by catalyzing the formation of phosphoribosylpyrophosphate (PRPP). This enzyme's activity is crucial for the biosynthesis of purine and pyrimidine nucleotides, fundamental components of DNA and RNA.

Therapeutic significance:

The enzyme's dysfunction is linked to several genetic disorders, including Phosphoribosylpyrophosphate synthetase superactivity, Charcot-Marie-Tooth disease, ARTS syndrome, and X-linked deafness. These associations underscore the enzyme's potential as a target for therapeutic intervention in these conditions.

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