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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P03897
UPID:
NU3M_HUMAN
Alternative names:
NADH dehydrogenase subunit 3
Alternative UPACC:
P03897
Background:
NADH-ubiquinone oxidoreductase chain 3, also known as NADH dehydrogenase subunit 3, is a core component of the mitochondrial membrane respiratory chain Complex I. It plays a crucial role in electron transfer from NADH to ubiquinone, facilitating the essential catalytic activity of Complex I for cellular energy production.
Therapeutic significance:
The protein is implicated in Leigh syndrome and mitochondrial complex I deficiency, conditions marked by neurodegeneration and mitochondrial dysfunction. Understanding the role of NADH-ubiquinone oxidoreductase chain 3 could open doors to potential therapeutic strategies for these debilitating diseases.