Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our top-notch dedicated system is used to design specialised 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P00441
UPID:
SODC_HUMAN
Alternative names:
Superoxide dismutase 1
Alternative UPACC:
P00441; A6NHJ0; D3DSE4; Q16669; Q16711; Q16838; Q16839; Q16840; Q6NR85
Background:
Superoxide dismutase [Cu-Zn], also known as Superoxide dismutase 1, plays a critical role in cellular defense against oxidative stress by destroying radicals produced within cells. Its presence is vital for maintaining cellular health and preventing damage that can lead to various diseases.
Therapeutic significance:
The protein's link to neurodegenerative disorders, specifically Amyotrophic lateral sclerosis 1 and progressive Spastic tetraplegia and axial hypotonia, underscores its therapeutic significance. Understanding the role of Superoxide dismutase [Cu-Zn] could open doors to potential therapeutic strategies for these debilitating conditions.