Focused On-demand Library for 2-aminoethanethiol dioxygenase

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q96SZ5

UPID:

AEDO_HUMAN

Alternative names:

Cysteamine dioxygenase

Alternative UPACC:

Q96SZ5; B1AL29

Background:

2-aminoethanethiol dioxygenase, also known as Cysteamine dioxygenase, is a crucial enzyme in thiol metabolism and oxygen homeostasis. It functions by oxidizing cysteamine and N-terminal cysteine-containing proteins to their corresponding sulfinic acids, utilizing O2 as a cosubstrate. This enzyme is responsible for the oxidation of cysteamine to hypotaurine and also targets regulators of G-protein signaling 4 and 5, along with interleukin-32.

Therapeutic significance:

Understanding the role of 2-aminoethanethiol dioxygenase could open doors to potential therapeutic strategies. Its pivotal role in regulating thiol metabolism and oxygen homeostasis highlights its potential as a target for therapeutic intervention in conditions where these processes are disrupted.