Focused On-demand Library for Acid ceramidase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


We employ our advanced, specialised process to create 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
Q13510

UPID:
ASAH1_HUMAN

ALTERNATIVE NAMES:
Acylsphingosine deacylase; N-acylethanolamine hydrolase ASAH1; N-acylsphingosine amidohydrolase; Putative 32 kDa heart protein

ALTERNATIVE UPACC:
Q13510; E9PDS0; Q6W898; Q96AS2

BACKGROUND:
The protein Acid ceramidase, also identified as N-acylethanolamine hydrolase ASAH1, is integral to regulating bioactive lipids like ceramides and sphingosine. Its activity is essential for the differentiation of epidermal keratinocytes and indirectly influences TNF-induced apoptosis. The enzyme's ability to bind the nuclear receptor NR5A1 and regulate its activity further underscores its biological significance.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Acid ceramidase could open doors to potential therapeutic strategies for diseases such as Farber lipogranulomatosis and spinal muscular atrophy with progressive myoclonic epilepsy. Its involvement in these conditions suggests that modulating its activity could offer new avenues for treatment.

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