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.
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 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 employ our advanced, specialised process to create targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P28330
UPID:
ACADL_HUMAN
Alternative names:
-
Alternative UPACC:
P28330; B2R8T3; Q8IUN8
Background:
Long-chain specific acyl-CoA dehydrogenase, mitochondrial, is pivotal in the first step of mitochondrial fatty acid beta-oxidation. This process is crucial for breaking down fatty acids into acetyl-CoA, facilitating energy production from fats. It specifically acts on acyl-CoAs ranging from 6 to 24 carbons, with a preference for chains 8 to 18 carbons long, showcasing its versatility in substrate specificity.
Therapeutic significance:
Understanding the role of Long-chain specific acyl-CoA dehydrogenase could open doors to potential therapeutic strategies. Its critical function in energy metabolism from fats highlights its potential impact on metabolic disorders.