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 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 procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P08294
UPID:
SODE_HUMAN
Alternative names:
-
Alternative UPACC:
P08294; Q5U781; Q6FHA2
Background:
Extracellular superoxide dismutase [Cu-Zn], encoded by the gene with accession number P08294, plays a crucial role in cellular defense. It protects the extracellular space from the toxic effects of reactive oxygen intermediates by converting superoxide radicals into hydrogen peroxide and oxygen. This enzymatic activity is vital for maintaining oxidative balance and preventing cellular damage.
Therapeutic significance:
Understanding the role of Extracellular superoxide dismutase [Cu-Zn] could open doors to potential therapeutic strategies. Its function in detoxifying reactive oxygen species suggests its involvement in oxidative stress-related conditions, offering a promising target for therapeutic intervention.