Focused On-demand Library for Elongation of very long chain fatty acids protein 5

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q9NYP7

UPID:
ELOV5_HUMAN

ALTERNATIVE NAMES:
3-keto acyl-CoA synthase ELOVL5; ELOVL fatty acid elongase 5; Fatty acid elongase 1; Very long chain 3-ketoacyl-CoA synthase 5; Very long chain 3-oxoacyl-CoA synthase 5

ALTERNATIVE UPACC:
Q9NYP7; B4DZJ2; F6SH78; Q59EL3; Q5TGH5; Q6NXE7; Q7L2S5; Q8NCG4; Q9UI22

BACKGROUND:
ELOVL fatty acid elongase 5, also known as ELOVL5, plays a pivotal role in the elongation of long-chain fatty acids, a critical process for the synthesis of membrane lipids and lipid mediators. Its activity is essential for maintaining the balance of polyunsaturated fatty acids in the body, with significant implications for cell structure and function. The enzyme's specificity towards C18:3(n-6) acyl-CoA underscores its importance in the metabolic pathways that produce vital components of cellular membranes.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Spinocerebellar ataxia 38, a disorder characterized by cerebellar atrophy and progressive gait ataxia, ELOVL5 represents a promising target for therapeutic intervention. Exploring the enzyme's function and regulation could offer insights into the development of treatments for SCA38 and enhance our understanding of fatty acid metabolism's role in neurodegenerative diseases.

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