Focused On-demand Library for Glutathione S-transferase A4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

GST class-alpha member 4; Glutathione S-transferase A4-4

Alternative UPACC:

O15217; B2RD15; Q5T7Q8; Q6P4G1; Q9BX18; Q9H414


Glutathione S-transferase A4 (GSTA4) plays a crucial role in cellular detoxification, catalyzing the conjugation of reduced glutathione to a variety of hydrophobic electrophiles. This enzyme exhibits high catalytic efficiency with 4-hydroxyalkenals, notably 4-hydroxynonenal (4-HNE), a product of lipid peroxidation involved in cell signaling and stress response. Known alternatively as GST class-alpha member 4, GSTA4's activity is pivotal in maintaining cellular redox balance.

Therapeutic significance:

Understanding the role of Glutathione S-transferase A4 could open doors to potential therapeutic strategies. Its involvement in detoxification and protection against oxidative stress suggests its potential as a target in diseases characterized by oxidative damage and toxicant accumulation.

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