Focused On-demand Library for Purine nucleoside phosphorylase LACC1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q8IV20

UPID:

LACC1_HUMAN

Alternative names:

Adenosine deaminase LACC1; Fatty acid metabolism-immunity nexus; Guanosine phosphorylase LACC1; Laccase domain-containing protein 1; S-methyl-5'-thioadenosine phosphorylase LACC1

Alternative UPACC:

Q8IV20; A2A3Z6; Q8N8X5

Background:

Purine nucleoside phosphorylase LACC1, also known as Adenosine deaminase LACC1, plays a pivotal role in purine nucleoside metabolism, catalyzing the phosphorolysis of adenosine, guanosine, and inosine nucleosides. This enzyme is crucial for maintaining the balance of purine nucleotides, which is essential for cellular energy homeostasis and the metabolic function of macrophages. Its activity supports a purine nucleotide cycle that prevents cytoplasmic acidification and balances the cytoplasmic-mitochondrial redox interface.

Therapeutic significance:

Given its involvement in juvenile arthritis, a rare form of arthritis with autosomal recessive inheritance, understanding the role of Purine nucleoside phosphorylase LACC1 could open doors to potential therapeutic strategies. Its regulatory function in innate immunity and macrophage metabolism highlights its potential as a target for therapeutic intervention in inflammatory diseases.