Focused On-demand Library for Diamine acetyltransferase 1

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 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 top-notch dedicated system is used to design specialised 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
P21673

UPID:
SAT1_HUMAN

ALTERNATIVE NAMES:
Polyamine N-acetyltransferase 1; Putrescine acetyltransferase; Spermidine/spermine N(1)-acetyltransferase 1

ALTERNATIVE UPACC:
P21673; Q6ICU9

BACKGROUND:
The enzyme Diamine acetyltransferase 1, known alternatively as Spermidine/spermine N(1)-acetyltransferase 1, is integral to the acetylation process of polyamines such as spermidine and spermine. This process is essential for the regulation of polyamine transport out of cells, indicating a key role in maintaining cellular polyamine balance. The enzyme's specificity towards norspermidine and spermidine over spermine highlights its selective regulatory function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Diamine acetyltransferase 1 offers a promising avenue for the development of novel therapeutic approaches. Its critical role in modulating polyamine concentrations and transport underscores its potential as a target in diseases where polyamine metabolism is disrupted.

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