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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NPG2
UPID:
NGB_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NPG2
Background:
Neuroglobin, identified by its unique ability to transport oxygen within the brain, plays a pivotal role in neuroprotection against oxidative stress. This hexacoordinate globin competes for oxygen or the distal His residue binding to the iron atom, crucial for its function. Unlike other globins, it cannot penetrate cell membranes, and its deoxygenated form acts as a nitrite reductase, inhibiting cellular respiration through NO-binding to cytochrome c oxidase.
Therapeutic significance:
Understanding the role of Neuroglobin could open doors to potential therapeutic strategies. Its involvement in neuroprotection and anti-apoptotic activity suggests a promising avenue for research into treatments for neurological conditions characterized by oxidative stress.