AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cysteine dioxygenase type 1

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q16878

UPID:

CDO1_HUMAN

Alternative names:

Cysteine dioxygenase type I

Alternative UPACC:

Q16878; B2RAK4; P78513; Q6FHZ8; Q8TB64

Background:

Cysteine dioxygenase type 1, alternatively known as Cysteine dioxygenase type I, plays a crucial role in sulfur amino acid metabolism by catalyzing the oxidation of cysteine to cysteine sulfinic acid with the addition of molecular dioxygen. This enzymatic activity is vital for maintaining cysteine homeostasis in the body.

Therapeutic significance:

Understanding the role of Cysteine dioxygenase type 1 could open doors to potential therapeutic strategies. Its pivotal function in amino acid metabolism suggests its involvement in various metabolic disorders, offering a promising avenue for research and drug development.

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