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

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner 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 use our state-of-the-art dedicated workflow for designing 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.