Focused On-demand Library for Glutathione S-transferase omega-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

Glutathione S-transferase omega 1-1; Glutathione-dependent dehydroascorbate reductase; Monomethylarsonic acid reductase; S-(Phenacyl)glutathione reductase

Alternative UPACC:

P78417; D3DRA3; F5H7H0; Q5TA03; Q7Z3T2


Glutathione S-transferase omega-1 (GSTO1-1) plays a pivotal role in cellular defense mechanisms. It exhibits a range of activities, including glutathione-dependent thiol transferase, dehydroascorbate reductase, and S-(phenacyl)glutathione reductase activities. Furthermore, GSTO1-1 is involved in the biotransformation of inorganic arsenic, reducing harmful compounds like monomethylarsonic acid and dimethylarsonic acid. Its alternative names, such as Glutathione-dependent dehydroascorbate reductase and Monomethylarsonic acid reductase, reflect its diverse functions.

Therapeutic significance:

Understanding the role of Glutathione S-transferase omega-1 could open doors to potential therapeutic strategies. Its involvement in detoxification processes and reduction of arsenic compounds suggests its potential in treating arsenic poisoning and preventing arsenic-induced cellular damage.

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