Focused On-demand Library for Dual oxidase 1

Focused On-demand Libraries - Receptor.AI 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. 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 screening 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
Receptor.AI
 
UPACC
Q9NRD9

UPID:
DUOX1_HUMAN

ALTERNATIVE NAMES:
Large NOX 1; Long NOX 1; NADPH thyroid oxidase 1; Thyroid oxidase 1

ALTERNATIVE UPACC:
Q9NRD9; A6NH28; Q14C94; Q6ZMB3; Q6ZR09; Q9NZC1

BACKGROUND:
Dual oxidase 1, with aliases like NADPH thyroid oxidase 1, is integral in producing hydrogen peroxide necessary for thyroid peroxidase and lactoperoxidase activities. It supports the synthesis of thyroid hormones and plays a role in the antimicrobial defense mechanism at mucosal surfaces. The protein's peroxidase-like domain may confer additional peroxidase activity, making it a key player in physiological and potentially pathological processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dual oxidase 1 offers a promising avenue for developing novel therapeutic approaches. Given its critical role in hormone production and immune defense, targeting Dual oxidase 1 could lead to breakthroughs in treating diseases associated with these processes.

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