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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q8IWL3
UPID:
HSC20_HUMAN
Alternative names:
DnaJ homolog subfamily C member 20
Alternative UPACC:
Q8IWL3; Q9BWS7
Background:
Iron-sulfur cluster co-chaperone protein HscB, also known as DnaJ homolog subfamily C member 20, plays a pivotal role in mitochondrial and cytoplasmic iron-sulfur cluster assembly. It acts as a co-chaperone, essential for the incorporation of iron-sulfur clusters into various proteins, including the succinate dehydrogenase complex, crucial for the mitochondrial electron transport chain. This protein's interaction with other components facilitates the complex formation necessary for iron-sulfur cluster insertion into key metabolic enzymes.
Therapeutic significance:
Given its critical role in hematopoiesis and its involvement in Anemia, sideroblastic, 5, a disorder characterized by systemic iron overload and ineffective erythropoiesis, Iron-sulfur cluster co-chaperone protein HscB represents a promising target for therapeutic intervention. Understanding the role of Iron-sulfur cluster co-chaperone protein HscB could open doors to potential therapeutic strategies for treating sideroblastic anemia and related mitochondrial dysfunctions.