Focused On-demand Library for Dihydropyrimidinase

Details

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q14117

UPID:
DPYS_HUMAN

ALTERNATIVE NAMES:
Dihydropyrimidine amidohydrolase; Hydantoinase

ALTERNATIVE UPACC:
Q14117

BACKGROUND:
The enzyme Dihydropyrimidinase, known alternatively as Dihydropyrimidine amidohydrolase or Hydantoinase, is integral to the breakdown of pyrimidines, specifically in the reversible hydrolytic ring opening of dihydropyrimidines. Its function is critical in the metabolism of pyrimidine, converting compounds like 5,6-dihydrouracil and 5,6-dihydrothymine into their respective products, thereby facilitating crucial biological processes.

THERAPEUTIC SIGNIFICANCE:
Linked to Dihydropyrimidinase deficiency, a condition characterized by a broad range of clinical manifestations including developmental delays and convulsive attacks, the enzyme's study is vital. Understanding the role of Dihydropyrimidinase could open doors to potential therapeutic strategies, highlighting its significance in medical research and drug development.

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