Focused On-demand Library for Dual oxidase 2

Available from Reaxense
Predicted by Alphafold

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.

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 employ our advanced, specialised process to create targeted 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.







Alternative names:

Large NOX 2; Long NOX 2; NADH/NADPH thyroid oxidase p138-tox; NADPH oxidase/peroxidase DUOX2; NADPH thyroid oxidase 2; Thyroid oxidase 2; p138 thyroid oxidase

Alternative UPACC:

Q9NRD8; A8MQ13; D2XI64; Q9NR02; Q9UHF9


Dual oxidase 2 (DUOX2), also known by names such as Large NOX 2 and Thyroid oxidase 2, plays a pivotal role in the synthesis of thyroid hormones. It generates hydrogen peroxide, essential for the activity of thyroid peroxidase/TPO and lactoperoxidase/LPO, contributing to antimicrobial defense at mucosal surfaces. Its unique structure, featuring a peroxidase-like domain, suggests potential peroxidase activity.

Therapeutic significance:

DUOX2's involvement in Thyroid dyshormonogenesis 6, a disorder stemming from defective iodide conversion, highlights its therapeutic potential. Understanding DUOX2's role could pave the way for innovative treatments for thyroid disorders, emphasizing the importance of targeted research in this area.

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