Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8N5Z0
UPID:
AADAT_HUMAN
Alternative names:
2-aminoadipate aminotransferase; 2-aminoadipate transaminase; Alpha-aminoadipate aminotransferase; Glycine transaminase AADAT; Kynurenine aminotransferase II; Kynurenine--glyoxylate transaminase AADAT; Kynurenine--oxoglutarate aminotransferase II; Kynurenine--oxoglutarate transaminase 2; Kynurenine--oxoglutarate transaminase II; Methionine--glyoxylate transaminase AADAT
Alternative UPACC:
Q8N5Z0; B3KP84; Q9UL02
Background:
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, known by alternative names such as 2-aminoadipate aminotransferase and Kynurenine--oxoglutarate transaminase 2, plays a pivotal role in amino acid metabolism. It exhibits broad substrate specificity, engaging in the transamination of aminoadipate, kynurenine, methionine, glutamate, and several other amino acids. This enzyme's preference for oxo-acids as amino-group acceptors underscores its versatility in biochemical pathways.
Therapeutic significance:
Understanding the role of Kynurenine/alpha-aminoadipate aminotransferase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways highlights its potential as a target for drug discovery, aiming to modulate metabolic disorders and diseases linked to amino acid metabolism.