Focused On-demand Library for Uridine phosphorylase 2

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O95045

UPID:

UPP2_HUMAN

Alternative names:

Alternative UPACC:

O95045; B3KV87

Background:

Uridine phosphorylase 2 plays a pivotal role in nucleotide metabolism, catalyzing the reversible phosphorylytic cleavage of uridine and deoxyuridine into uracil and ribose- or deoxyribose-1-phosphate. This process is crucial for the salvage of pyrimidine bases, facilitating nucleotide synthesis and cellular energy production. The enzyme exhibits broad substrate specificity, processing not only uridine and deoxyuridine but also thymidine and pyrimidine nucleoside analogs such as 5-fluorouridine and 5-fluoro-2(')-deoxyuridine.

Therapeutic significance:

Understanding the role of Uridine phosphorylase 2 could open doors to potential therapeutic strategies. Its ability to process pyrimidine nucleoside analogs suggests its involvement in the metabolism of chemotherapeutic agents, highlighting its potential as a target in cancer therapy.