Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P23919
UPID:
KTHY_HUMAN
Alternative names:
dTMP kinase
Alternative UPACC:
P23919; B7ZW70; Q6FGX1; Q9BUX4
Background:
Thymidylate kinase, also known as dTMP kinase, plays a crucial role in DNA synthesis by catalyzing the phosphorylation of thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), a precursor for the DNA building block dTTP. This process is essential for DNA replication and repair, highlighting the protein's significance in cellular division and genomic integrity.
Therapeutic significance:
The protein's involvement in Neurodegeneration, childhood-onset, with progressive microcephaly, a disorder characterized by developmental delays, seizures, and early death, underscores its therapeutic potential. Targeting thymidylate kinase could lead to novel treatments for this devastating condition, offering hope for affected individuals and their families.