Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q16798
UPID:
MAON_HUMAN
Alternative names:
Malic enzyme 3
Alternative UPACC:
Q16798; B7Z6V0; Q8TBJ0
Background:
The NADP-dependent malic enzyme, mitochondrial, also known as Malic enzyme 3, plays a crucial role in cellular metabolism. It catalyzes the oxidative decarboxylation of (S)-malate to pyruvate using NADP(+) as a cofactor, a reaction pivotal for energy production and biosynthesis processes within the mitochondria.
Therapeutic significance:
Understanding the role of NADP-dependent malic enzyme, mitochondrial could open doors to potential therapeutic strategies. Its involvement in fundamental metabolic pathways underscores its potential as a target for metabolic disorders.