AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Uridine-cytidine kinase 2

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9BZX2

UPID:

UCK2_HUMAN

Alternative names:

Cytidine monophosphokinase 2; Testis-specific protein TSA903; Uridine monophosphokinase 2

Alternative UPACC:

Q9BZX2; Q5VV91; Q7KZV3; Q92528; Q96KG5; Q9BU42

Background:

Uridine-cytidine kinase 2, also known as Cytidine monophosphokinase 2 and Testis-specific protein TSA903, 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. It can utilize both ATP and GTP as phosphate donors and is capable of modifying various nucleoside analogs, highlighting its potential in drug metabolism and design.

Therapeutic significance:

Understanding the role of Uridine-cytidine kinase 2 could open doors to potential therapeutic strategies. Its ability to phosphorylate a wide range of nucleoside analogs suggests its importance in the development of antiviral and anticancer drugs, offering a promising avenue for targeted drug discovery efforts.

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