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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Several key aspects differentiate our library:
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.