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.
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.
We employ our advanced, specialised process to create 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:
partner
Reaxense
upacc
Q9NPB1
UPID:
NT5M_HUMAN
Alternative names:
Deoxy-5'-nucleotidase 2
Alternative UPACC:
Q9NPB1
Background:
The 5'(3')-deoxyribonucleotidase, mitochondrial, also known as Deoxy-5'-nucleotidase 2, plays a crucial role in mitochondrial DNA replication. It specifically dephosphorylates the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, thereby protecting mitochondrial DNA replication from excess dTTP. This enzyme exhibits marginal activity towards dIMP and dGMP.
Therapeutic significance:
Understanding the role of 5'(3')-deoxyribonucleotidase, mitochondrial could open doors to potential therapeutic strategies. Its precise function in mitochondrial DNA maintenance suggests its importance in cellular health and disease prevention.