Focused On-demand Library for Kynurenine--oxoglutarate transaminase 3

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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.


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 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 screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.

PARTNER
Receptor.AI
 
UPACC
Q6YP21

UPID:
KAT3_HUMAN

ALTERNATIVE NAMES:
Cysteine-S-conjugate beta-lyase 2; Kynurenine aminotransferase 3; Kynurenine aminotransferase III; Kynurenine--glyoxylate transaminase; Kynurenine--oxoglutarate transaminase III

ALTERNATIVE UPACC:
Q6YP21; B3KQ13; O95335; Q5JS27; Q5T9T7; Q5T9T8; Q6AI27; Q6ICW1; Q9BVY5

BACKGROUND:
Kynurenine--oxoglutarate transaminase 3, identified by its alternative names such as Cysteine-S-conjugate beta-lyase 2 and Kynurenine aminotransferase III, is pivotal in metabolizing L-tryptophan derivatives. It facilitates the formation of kynurenic acid, a key compound in neurophysiology, by transaminating L-kynurenine. This enzyme's broad substrate range underscores its significant biochemical versatility and its potential impact on amino acid metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Kynurenine--oxoglutarate transaminase 3 offers a pathway to novel therapeutic avenues. Given its central role in producing kynurenic acid and modulating excitatory neurotransmission, targeting this enzyme could yield innovative treatments for neurological conditions, emphasizing the importance of its study in drug discovery.

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