Focused On-demand Library for Long-chain-fatty-acid--CoA ligase 4

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
O60488

UPID:
ACSL4_HUMAN

ALTERNATIVE NAMES:
Arachidonate--CoA ligase; Long-chain acyl-CoA synthetase 4

ALTERNATIVE UPACC:
O60488; D3DUY2; O60848; O60849; Q5JWV8

BACKGROUND:
The enzyme Long-chain-fatty-acid--CoA ligase 4, with alternative names Arachidonate--CoA ligase and Long-chain acyl-CoA synthetase 4, is pivotal in the activation of long-chain fatty acids. It preferentially activates specific substrates, including arachidonate and eicosapentaenoate, for lipid synthesis and degradation. Its activity is essential for regulating unesterified EET levels, thereby influencing insulin secretion and prostaglandin E2 secretion.

THERAPEUTIC SIGNIFICANCE:
Involvement of Long-chain-fatty-acid--CoA ligase 4 in Intellectual developmental disorder, X-linked 63, and AMME complex underscores its potential as a therapeutic target. Exploring the mechanisms by which this protein contributes to such disorders could unveil innovative approaches to treatment, emphasizing the importance of research in this area.

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