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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our high-tech, dedicated method is applied to construct 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 stands out due to several important features:
partner
Reaxense
upacc
Q92947
UPID:
GCDH_HUMAN
Alternative names:
-
Alternative UPACC:
Q92947; A8K2Z2; O14719
Background:
Glutaryl-CoA dehydrogenase, mitochondrial, is a pivotal enzyme in the metabolism of L-lysine, L-hydroxylysine, and L-tryptophan, catalyzing the conversion of glutaryl-CoA to crotonyl-CoA and CO(2). This process is essential for the proper degradation of these amino acids, utilizing electron transfer flavoprotein as its electron acceptor. However, the short isoform of this enzyme is inactive.
Therapeutic significance:
Glutaric aciduria 1, a metabolic disorder resulting from variants affecting this enzyme's gene, highlights its critical role in human health. Understanding the role of Glutaryl-CoA dehydrogenase, mitochondrial, could open doors to potential therapeutic strategies for this and related disorders.