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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q16773
UPID:
KAT1_HUMAN
Alternative names:
Cysteine-S-conjugate beta-lyase; Glutamine transaminase K; Glutamine--phenylpyruvate transaminase; Kynurenine aminotransferase 1; Kynurenine aminotransferase I; Kynurenine--oxoglutarate transaminase I
Alternative UPACC:
Q16773; Q5T275; Q8N191
Background:
Kynurenine--oxoglutarate transaminase 1, also known as Kynurenine aminotransferase I, plays a crucial role in the tryptophan catabolic pathway by catalyzing the conversion of L-kynurenine to kynurenic acid (KA). This process is vital for the regulation of neurotransmitter activity, as KA acts as a broad-spectrum antagonist of excitatory amino acid receptors. Additionally, this enzyme is involved in the metabolism of cysteine conjugates and the beta-elimination of S-conjugates and Se-conjugates, highlighting its importance in cellular detoxification processes.
Therapeutic significance:
Understanding the role of Kynurenine--oxoglutarate transaminase 1 could open doors to potential therapeutic strategies, particularly in neurological disorders where excitatory neurotransmitter activity is dysregulated.