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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.