Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q86SX6
UPID:
GLRX5_HUMAN
Alternative names:
Monothiol glutaredoxin-5
Alternative UPACC:
Q86SX6; Q0X088; Q3YML0; Q86WY3; Q8IZ54
Background:
Glutaredoxin-related protein 5, mitochondrial, also known as Monothiol glutaredoxin-5, plays a pivotal role in mitochondrial iron-sulfur (Fe/S) cluster transfer. This protein is essential for transferring 2Fe/2S clusters to apoproteins, aiding in hemoglobin synthesis regulation via the iron-sulfur protein ACO1.
Therapeutic significance:
Glutaredoxin-related protein 5's involvement in diseases like sideroblastic anemia and spasticity with hyperglycinemia highlights its potential as a target for therapeutic intervention. Understanding its role could open doors to novel treatments for these conditions.