Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 high-tech, dedicated method is applied to construct targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UMS0
UPID:
NFU1_HUMAN
Alternative names:
HIRA-interacting protein 5
Alternative UPACC:
Q9UMS0; B4DUL9; Q53QE5; Q6VNZ8; Q7Z5B1; Q7Z5B2; Q9Y322
Background:
NFU1 iron-sulfur cluster scaffold homolog, mitochondrial, also known as HIRA-interacting protein 5, plays a crucial role in cellular energy metabolism. It functions as an iron-sulfur cluster scaffold protein, assembling [4Fe-4S] clusters and delivering them to target proteins, essential for mitochondrial function.
Therapeutic significance:
The protein is linked to Multiple mitochondrial dysfunctions syndrome 1, a severe metabolic disorder characterized by energy metabolism disruption, respiratory failure, and early death. Understanding NFU1's role could lead to novel therapeutic strategies for this syndrome.