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
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.
Key features that set our library apart include:
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.