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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9NS18
UPID:
GLRX2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NS18; Q3LR69; Q7L1N7; Q96JC0; Q9Y3D4
Background:
Glutaredoxin-2, located in mitochondria, plays a crucial role in maintaining redox homeostasis, especially during oxidative stress-induced apoptosis. It acts as an efficient catalyst in monothiol reactions, interacting with glutathione and thioredoxin reductase to support both monothiol and dithiol reactions. This protein is pivotal in regulating superoxide production by catalyzing the glutathionylation and deglutathionylation of mitochondrial complex I.
Therapeutic significance:
Understanding the role of Glutaredoxin-2 could open doors to potential therapeutic strategies.