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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q709F0
UPID:
ACD11_HUMAN
Alternative names:
-
Alternative UPACC:
Q709F0; Q08AF0; Q658N9; Q658Y2; Q6ZND2; Q8WUT6; Q9H9R3
Background:
Acyl-CoA dehydrogenase family member 11 (ACAD11) is a crucial enzyme in fatty acid metabolism, primarily involved in the beta-oxidation pathway. It exhibits maximal activity towards saturated C22-CoA, indicating its pivotal role in energy production. ACAD11 is also speculated to influence the fatty acid composition of cellular lipids in the brain, highlighting its potential impact on neurological functions.
Therapeutic significance:
Understanding the role of Acyl-CoA dehydrogenase family member 11 could open doors to potential therapeutic strategies. Its involvement in fatty acid metabolism and energy production, coupled with its probable impact on brain lipid composition, makes it a promising target for addressing metabolic disorders and neurodegenerative diseases.