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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8N465
UPID:
D2HDH_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N465; B4E3L6; E7ENP2; Q6IQ24; Q8N5Q8
Background:
D-2-hydroxyglutarate dehydrogenase, mitochondrial, is a pivotal enzyme that catalyzes the conversion of D-2-hydroxyglutarate (D-2-HG) to alpha-ketoglutarate. This process is crucial for the metabolism of specific hydroxyacids, including D-malate and D-lactate, showcasing a preference for D-2-HG and D-MAL. The enzyme's activity is essential for maintaining metabolic balance within the mitochondria.
Therapeutic significance:
D-2-hydroxyglutarate dehydrogenase plays a critical role in D-2-hydroxyglutaric aciduria 1, a rare metabolic disorder marked by developmental delays, epilepsy, and cardiomyopathy. Understanding the enzyme's function could pave the way for innovative treatments targeting the metabolic pathways involved in this disease.