Focused On-demand Library for L-amino-acid oxidase

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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q96RQ9

UPID:
OXLA_HUMAN

ALTERNATIVE NAMES:
Interleukin-4-induced protein 1; Protein Fig-1

ALTERNATIVE UPACC:
Q96RQ9; Q1WMJ3; Q4GZN1; Q4GZN2; Q6P2Q3; Q8TEM5; Q96RQ8

BACKGROUND:
The protein L-amino-acid oxidase, also referred to as Interleukin-4-induced protein 1, serves as a key immunoregulator. It targets L-aromatic amino acids, converting them into specific acids, and has a minor role in L-arginine oxidation. Its function extends to regulating anti-tumor immunity by mediating Trp degradation, which activates AHR, a transcription factor crucial for immunity and cancer. This process enhances tumor progression and modulates immune cell functions, including T-cell activation and B-cell development.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of L-amino-acid oxidase offers a pathway to innovative therapeutic approaches. Its critical role in immune regulation and tumor progression, through Trp degradation and AHR activation, highlights its potential as a therapeutic target.

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