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 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 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P49748
UPID:
ACADV_HUMAN
Alternative names:
-
Alternative UPACC:
P49748; B4DEB6; F5H2A9; O76056; Q8WUL0
Background:
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial, catalyzes the initial step of mitochondrial fatty acid beta-oxidation, targeting acyl-CoAs with 12 to 24 carbon chains. This process is crucial for energy production from fats, involving the conversion of fatty acids into acetyl-CoA.
Therapeutic significance:
Acyl-CoA dehydrogenase very long-chain deficiency, a mitochondrial fatty acid beta-oxidation disorder, manifests in varying severities, from severe childhood forms with cardiomyopathy to adult-onset skeletal muscle involvement. Understanding the role of this enzyme could pave the way for novel treatments.