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

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Reaxense

upacc

O60488

UPID:

ACSL4_HUMAN

Alternative names:

Arachidonate--CoA ligase; Long-chain acyl-CoA synthetase 4

Alternative UPACC:

O60488; D3DUY2; O60848; O60849; Q5JWV8

Background:

Long-chain-fatty-acid--CoA ligase 4, also known as Arachidonate--CoA ligase and Long-chain acyl-CoA synthetase 4, plays a crucial role in lipid metabolism. It catalyzes the conversion of long-chain fatty acids into their active form, acyl-CoA, facilitating both the synthesis of cellular lipids and their degradation via beta-oxidation. This enzyme shows a preference for arachidonate and eicosapentaenoate as substrates, significantly influencing the modulation of glucose-stimulated insulin secretion and prostaglandin E2 levels.

Therapeutic significance:

Long-chain-fatty-acid--CoA ligase 4 is implicated in Intellectual developmental disorder, X-linked 63, and AMME complex, diseases characterized by intellectual disability among other symptoms. Understanding the role of this protein could lead to novel therapeutic strategies targeting these X-linked disorders, potentially offering new hope for patients.