Focused On-demand Library for Elongation of very long chain fatty acids protein 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our partner 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9GZR5

UPID:

ELOV4_HUMAN

Alternative names:

3-keto acyl-CoA synthase ELOVL4; ELOVL fatty acid elongase 4; Very long chain 3-ketoacyl-CoA synthase 4; Very long chain 3-oxoacyl-CoA synthase 4

Alternative UPACC:

Q9GZR5; B2R6B5; Q5TCS2; Q86YJ1; Q9H139

Background:

Elongation of very long chain fatty acids protein 4 (ELOVL4) is pivotal in the biosynthesis of very long chain fatty acids (VLCFAs), crucial components of cell membranes and precursors of bioactive lipids. ELOVL4 catalyzes the initial and rate-limiting step in the elongation cycle of long- and very long-chain fatty acids, playing a vital role in brain and skin development.

Therapeutic significance:

ELOVL4's mutations are linked to Stargardt disease 3, a hereditary macular degeneration, and to severe disorders like ichthyosis with spastic quadriplegia. Its involvement in Spinocerebellar ataxia 34 highlights its critical role in neurological integrity. Targeting ELOVL4 could offer new avenues for treating these debilitating conditions.