Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P21589
UPID:
5NTD_HUMAN
Alternative names:
5'-deoxynucleotidase; Ecto-5'-nucleotidase; IMP-specific 5'-nucleotidase; Thymidylate 5'-phosphatase
Alternative UPACC:
P21589; B3KQI8; O75520; Q5W116
Background:
5'-nucleotidase, also known as ecto-5'-nucleotidase, plays a crucial role in nucleotide metabolism by catalyzing the hydrolysis of nucleotide monophosphates. This enzyme prefers AMP as its substrate but also acts on IMP, UMP, GMP, CMP, and several deoxyribonucleotide monophosphates. Its activity is pivotal in regulating the availability of nucleosides for DNA and RNA synthesis.
Therapeutic significance:
The involvement of 5'-nucleotidase in calcification of joints and arteries, a condition leading to severe joint pain and arterial calcification, underscores its therapeutic potential. Targeting this enzyme could lead to innovative treatments for this debilitating disease, highlighting the importance of understanding its biological functions.