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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 stands out due to several important features:
partner
Reaxense
upacc
Q96HY7
UPID:
DHTK1_HUMAN
Alternative names:
2-oxoadipate dehydrogenase, mitochondrial; Alpha-ketoadipate dehydrogenase; Dehydrogenase E1 and transketolase domain-containing protein 1; Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial
Alternative UPACC:
Q96HY7; Q68CU5; Q9BUM8; Q9HCE2
Background:
The 2-oxoadipate dehydrogenase complex component E1, also known as alpha-ketoadipate dehydrogenase, plays a pivotal role in the catabolism of lysine, hydroxylysine, and tryptophan. This mitochondrial enzyme catalyzes the decarboxylation of 2-oxoadipate to glutaryl-CoA, a critical step in the metabolic pathway. Its activity is essential for the efficient conversion of these amino acids into energy and other metabolites.
Therapeutic significance:
Linked to Charcot-Marie-Tooth disease, axonal, 2Q, and Alpha-aminoadipic and alpha-ketoadipic aciduria, understanding the function of 2-oxoadipate dehydrogenase could pave the way for novel treatments. These conditions, characterized by peripheral nervous system disorders and metabolic anomalies, respectively, highlight the enzyme's clinical relevance.