Focused On-demand Library for Glutathione S-transferase theta-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.

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







Alternative names:

GST class-theta-1; Glutathione transferase T1-1

Alternative UPACC:

P30711; O00226; Q5TZY2; Q6IC69; Q969K8; Q96IY3


Glutathione S-transferase theta-1 (GSTT1), also known as GST class-theta-1, plays a crucial role in cellular detoxification. It catalyzes the conjugation of reduced glutathione to a variety of hydrophobic electrophiles, including 1,2-epoxy-3-(4-nitrophenoxy)propane and 4-nitrophenethyl bromide, showcasing its versatility in neutralizing toxic compounds. Additionally, GSTT1 exhibits glutathione peroxidase activity, further contributing to its protective functions against oxidative stress by reducing cumene hydroperoxide.

Therapeutic significance:

Understanding the role of Glutathione S-transferase theta-1 could open doors to potential therapeutic strategies. Its involvement in detoxification and protection against oxidative damage highlights its significance in maintaining cellular health and resilience, suggesting that modulation of GSTT1 activity could offer novel approaches for the treatment of conditions associated with oxidative stress and toxin exposure.

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