Focused On-demand Library for Uridine phosphorylase 2

Details

Focused On-demand Libraries - Receptor.AI 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.


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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
O95045

UPID:
UPP2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O95045; B3KV87

BACKGROUND:
Uridine phosphorylase 2 is integral to the pyrimidine salvage pathway, enabling the breakdown of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. This enzymatic activity supports both the recycling of pyrimidine bases for DNA and RNA synthesis and the generation of cellular energy. Notably, the enzyme's substrate range extends to thymidine and certain chemotherapeutic analogs, indicating a broad specificity that could influence drug metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionality of Uridine phosphorylase 2 unveils potential avenues for therapeutic intervention. Its critical role in nucleotide metabolism and drug processing positions it as a promising target for the development of novel treatments, particularly in oncology, where pyrimidine analogs are commonly used.

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