AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Uridine phosphorylase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.

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

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

Reaxense

upacc

Q16831

UPID:

UPP1_HUMAN

Alternative names:

-

Alternative UPACC:

Q16831; D3DVM4; Q15362

Background:

Uridine phosphorylase 1 plays a crucial role in nucleotide metabolism by catalyzing the reversible phosphorylytic cleavage of uridine and deoxyuridine into uracil and ribose- or deoxyribose-1-phosphate. This process is essential for the salvage of pyrimidine bases and the synthesis of nucleotides, which are vital for DNA and RNA production.

Therapeutic significance:

Understanding the role of Uridine phosphorylase 1 could open doors to potential therapeutic strategies. Its pivotal function in nucleotide synthesis and salvage pathways highlights its importance in cellular metabolism and presents an opportunity for targeted drug development in diseases where nucleotide balance is disrupted.

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