Focused On-demand Library for FAD-linked sulfhydryl oxidase ALR

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P55789

UPID:

ALR_HUMAN

Alternative names:

Augmenter of liver regeneration; Hepatopoietin

Alternative UPACC:

P55789; Q53YM6; Q8TAH6; Q9H290; Q9UK40

Background:

FAD-linked sulfhydryl oxidase ALR, also known as Augmenter of liver regeneration and Hepatopoietin, plays a crucial role in mitochondrial function. It acts as a FAD-dependent sulfhydryl oxidase, essential for regenerating redox-active disulfide bonds in CHCHD4/MIA40. This process is vital for protein folding in the mitochondrial intermembrane space, highlighting ALR's significance in cellular health and energy production.

Therapeutic significance:

ALR's involvement in mitochondrial progressive myopathy, congenital cataract, hearing loss, and developmental delay underscores its therapeutic potential. Understanding the role of FAD-linked sulfhydryl oxidase ALR could open doors to potential therapeutic strategies for these conditions, offering hope for targeted treatments.