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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

Elongation of very long chain fatty acids protein 5 (ELOVL5) is a key enzyme in the biosynthesis of long-chain fatty acids, catalyzing the first and rate-limiting step in the elongation cycle. This process is crucial for the production of very long-chain fatty acids (VLCFAs), which are vital components of cell membranes and precursors of bioactive lipids. ELOVL5 shows a preference for polyunsaturated acyl-CoA substrates, particularly C18:3(n-6) acyl-CoA, highlighting its role in the synthesis of essential fatty acids.

Therapeutic significance:

Spinocerebellar ataxia 38 (SCA38) is associated with mutations in the ELOVL5 gene, leading to progressive cerebellar ataxia. Understanding the role of ELOVL5 in this condition could pave the way for novel therapeutic strategies targeting the underlying molecular mechanisms of SCA38 and potentially other neurodegenerative disorders linked to fatty acid metabolism.