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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
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.