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.
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 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P12694
UPID:
ODBA_HUMAN
Alternative names:
Branched-chain alpha-keto acid dehydrogenase E1 component alpha chain
Alternative UPACC:
P12694; B4DP47; E7EW46; Q16034; Q16472
Background:
The 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial, also known as the branched-chain alpha-keto acid dehydrogenase E1 component alpha chain, plays a pivotal role in amino acid metabolism. It forms part of the BCKD complex, essential for the oxidative decarboxylation of alpha-ketoacids derived from branched-chain amino acids like valine, leucine, and isoleucine, facilitating energy production.
Therapeutic significance:
Maple syrup urine disease 1A, a metabolic disorder linked to mutations affecting this protein, underscores its critical biological function. The disease manifests with severe neurological symptoms due to the accumulation of branched-chain amino acids. Understanding the protein's role could pave the way for innovative treatments targeting the underlying genetic and metabolic pathways.