Focused On-demand Library for Arginase-1

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused 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

P05089

UPID:

ARGI1_HUMAN

Alternative names:

Liver-type arginase; Type I arginase

Alternative UPACC:

P05089; A6NEA0; Q5JWT5; Q5JWT6; Q8TE72; Q9BS50

Background:

Arginase-1, also known as Liver-type arginase or Type I arginase, plays a pivotal role in the urea cycle by converting L-arginine into urea and L-ornithine. This process is crucial for detoxifying ammonia in the liver, with implications for metabolic processes in the kidneys. Beyond its metabolic function, Arginase-1 is integral to immune response regulation, competing with nitric oxide synthase for arginine, influencing T cell and NK cell activities, and supporting type 2 inflammation in the lung.

Therapeutic significance:

Arginase-1's malfunction is directly linked to Argininemia, a rare autosomal recessive disorder characterized by elevated arginine levels, developmental delays, and severe neurological symptoms. Understanding the role of Arginase-1 could open doors to potential therapeutic strategies, offering hope for targeted treatments that could alleviate or even prevent the debilitating effects of Argininemia.