Focused On-demand Library for Uridine phosphorylase 1

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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q16831

UPID:
UPP1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q16831; D3DVM4; Q15362

BACKGROUND:
Uridine phosphorylase 1 is key in the pyrimidine salvage pathway, facilitating the breakdown of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. This enzymatic activity is crucial for recycling pyrimidine bases and supporting nucleotide synthesis, which is fundamental for cellular replication and repair mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic mechanisms of Uridine phosphorylase 1 offers a promising avenue for drug discovery. By understanding its role in nucleotide metabolism, researchers can identify novel therapeutic targets for conditions characterized by abnormal nucleotide synthesis or utilization, paving the way for innovative treatments.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.