Focused On-demand Library for Uridine-cytidine kinase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

Q9HA47

UPID:

UCK1_HUMAN

Alternative names:

Cytidine monophosphokinase 1; Uridine monophosphokinase 1

Alternative UPACC:

Q9HA47; Q5JT09; Q5JT10; Q5JT12; Q5JT13; Q6IA74; Q96BJ0

Background:

Uridine-cytidine kinase 1, also known as Cytidine monophosphokinase 1 and Uridine monophosphokinase 1, plays a crucial role in nucleotide metabolism by phosphorylating uridine and cytidine to their monophosphate forms. This enzyme exhibits specificity towards ribonucleosides but not deoxyribonucleosides or purine ribonucleosides, and can utilize both ATP and GTP as phosphate donors. Its ability to phosphorylate a range of nucleoside analogs highlights its potential in drug metabolism and design.

Therapeutic significance:

Understanding the role of Uridine-cytidine kinase 1 could open doors to potential therapeutic strategies. Its specificity and activity towards various nucleoside analogs suggest its importance in the development of antiviral and anticancer drugs, offering a promising avenue for targeted drug discovery.