AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ribose-phosphate pyrophosphokinase 3

Available from Reaxense
Predicted by Alphafold

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.

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

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P21108

UPID:

PRPS3_HUMAN

Alternative names:

Phosphoribosyl pyrophosphate synthase 1-like 1; Phosphoribosyl pyrophosphate synthase III

Alternative UPACC:

P21108; Q6P5P6

Background:

Ribose-phosphate pyrophosphokinase 3, also known as Phosphoribosyl pyrophosphate synthase 1-like 1 and Phosphoribosyl pyrophosphate synthase III, plays a pivotal role in nucleotide synthesis. It catalyzes the synthesis of phosphoribosylpyrophosphate (PRPP), a critical precursor for the biosynthesis of nucleotides, essential for DNA and RNA production.

Therapeutic significance:

Understanding the role of Ribose-phosphate pyrophosphokinase 3 could open doors to potential therapeutic strategies. Its essential function in nucleotide synthesis makes it a potential target for developing treatments for diseases where nucleotide balance is disrupted.

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