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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key 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.