Focused On-demand Library for Kynurenine--oxoglutarate transaminase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







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


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.

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