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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
We employ our advanced, specialised process to create targeted 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
P23368
UPID:
MAOM_HUMAN
Alternative names:
Malic enzyme 2
Alternative UPACC:
P23368; B2R8J2; Q9BWL6; Q9BYG1; Q9H4B2
Background:
The NAD-dependent malic enzyme, mitochondrial, also known as Malic enzyme 2, plays a crucial role in cellular metabolism. It catalyzes the oxidative decarboxylation of malate to pyruvate, a key step in the citric acid cycle that powers cellular respiration.
Therapeutic significance:
Understanding the role of NAD-dependent malic enzyme, mitochondrial could open doors to potential therapeutic strategies.