AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Quinone oxidoreductase-like protein 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.

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.

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

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O95825

UPID:

QORL1_HUMAN

Alternative names:

Protein 4P11; Quinone oxidoreductase homolog 1; Zeta-crystallin homolog

Alternative UPACC:

O95825; B2RDX1; B3KQ77; Q96DY0; Q9NVY7

Background:

Quinone oxidoreductase-like protein 1, also known as Protein 4P11, Quinone oxidoreductase homolog 1, and Zeta-crystallin homolog, is encoded by the gene with the accession number O95825. This protein plays a crucial role in the cellular response to oxidative stress, acting as a potential detoxifying enzyme by facilitating the reduction of quinone substrates to their less reactive and toxic hydroquinone forms.

Therapeutic significance:

Understanding the role of Quinone oxidoreductase-like protein 1 could open doors to potential therapeutic strategies. Its involvement in oxidative stress response highlights its potential as a target for diseases characterized by oxidative damage.

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