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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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
P48200
UPID:
IREB2_HUMAN
Alternative names:
Iron regulatory protein 2
Alternative UPACC:
P48200; A0A0A6YY96; A8KAC7; E1CJT9; H0YKU0; Q13095; Q1HE21; Q59FQ7; Q8WVK6; Q9UF17
Background:
Iron-responsive element-binding protein 2 (IREB2), also known as Iron regulatory protein 2, plays a crucial role in iron metabolism. It binds to iron-responsive elements (IREs) in the mRNA of key iron metabolism genes, regulating their expression in response to iron levels. This protein's interaction with IREs in ferritin and transferrin receptor mRNA modulates iron storage and transport.
Therapeutic significance:
IREB2's involvement in Neurodegeneration, early-onset, with choreoathetoid movements and microcytic anemia highlights its potential as a therapeutic target. Understanding IREB2's function could pave the way for novel treatments for this severe disorder, emphasizing the importance of research into its regulatory mechanisms and genetic variants.