Focused On-demand Library for Ribose-phosphate pyrophosphokinase 3

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P21108

UPID:
PRPS3_HUMAN

ALTERNATIVE NAMES:
Phosphoribosyl pyrophosphate synthase 1-like 1; Phosphoribosyl pyrophosphate synthase III

ALTERNATIVE UPACC:
P21108; Q6P5P6

BACKGROUND:
The enzyme Ribose-phosphate pyrophosphokinase 3, with alternative names Phosphoribosyl pyrophosphate synthase 1-like 1 and Phosphoribosyl pyrophosphate synthase III, is crucial for the synthesis of phosphoribosylpyrophosphate (PRPP). PRPP is indispensable for the synthesis of nucleotides, the building blocks of DNA and RNA.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Ribose-phosphate pyrophosphokinase 3 offers a promising avenue for the development of novel therapeutic approaches. Given its central role in nucleotide synthesis, targeting this protein could lead to breakthroughs in treating conditions associated with nucleotide synthesis abnormalities.

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