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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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
P26440
UPID:
IVD_HUMAN
Alternative names:
Butyryl-CoA dehydrogenase
Alternative UPACC:
P26440; B2RCV5; B3KVI7; J3KR54; Q53XZ9; Q96AF6
Background:
Isovaleryl-CoA dehydrogenase, mitochondrial, also known as Butyryl-CoA dehydrogenase, plays a crucial role in the leucine catabolic pathway. It catalyzes the conversion of isovaleryl-CoA to 3-methylbut-2-enoyl-CoA, impacting various short-chain acyl-CoA thioesters' metabolism.
Therapeutic significance:
Isovaleric acidemia, a metabolic disorder linked to mutations in the gene encoding Isovaleryl-CoA dehydrogenase, underscores the protein's clinical importance. Understanding its function could lead to novel treatments for this life-threatening condition.