Focused On-demand Libraries - Receptor.AI Collaboration


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.


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


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 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.


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
P17735

UPID:
ATTY_HUMAN

ALTERNATIVE NAMES:
L-tyrosine:2-oxoglutarate aminotransferase

ALTERNATIVE UPACC:
P17735; B2R8I1; D3DWS2

BACKGROUND:
The enzyme Tyrosine aminotransferase, alternatively known as L-tyrosine:2-oxoglutarate aminotransferase, is integral to the catabolism of tyrosine, facilitating its conversion to p-hydroxyphenylpyruvate. It possesses the unique ability to perform the reverse reaction using glutamic acid, with 2-oxoglutarate as cosubstrate, albeit with a significantly lower affinity for phenylalanine. This enzyme's activity is essential for maintaining the balance of tyrosine in the body.

THERAPEUTIC SIGNIFICANCE:
Implicated in the development of Tyrosinemia 2, Tyrosine aminotransferase's dysfunction leads to significant health issues, including keratosis, corneal ulcers, and cognitive impairments. The exploration of this enzyme's function offers a promising avenue for the development of targeted treatments for this genetic disorder.

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