Focused On-demand Library for Aldehyde dehydrogenase family 3 member A2

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P51648

UPID:
AL3A2_HUMAN

ALTERNATIVE NAMES:
Aldehyde dehydrogenase 10; Fatty aldehyde dehydrogenase; Microsomal aldehyde dehydrogenase

ALTERNATIVE UPACC:
P51648; Q6I9T3; Q93011; Q96J37

BACKGROUND:
Aldehyde dehydrogenase family 3 member A2, known alternatively as Aldehyde dehydrogenase 10, is pivotal in the oxidation of aliphatic aldehydes to fatty acids. Its activity spans a wide range of substrates, from saturated to unsaturated aliphatic aldehydes, playing a key role in lipid metabolism and detoxification processes. This enzyme's ability to process the sphingosine 1-phosphate degradation product hexadecenal underscores its importance in cellular signaling and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Linked to the rare genetic condition Sjoegren-Larsson syndrome, characterized by intellectual disability and skin abnormalities, Aldehyde dehydrogenase family 3 member A2's study offers insights into potential treatments. Understanding the role of this enzyme could open doors to potential therapeutic strategies, highlighting the importance of targeted research in enzyme function and genetic diseases.

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