Focused On-demand Library for Sulfhydryl oxidase 1

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 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

O00391

UPID:

QSOX1_HUMAN

Alternative names:

Quiescin Q6

Alternative UPACC:

O00391; Q59G29; Q5T2X0; Q8TDL6; Q8WVP4

Background:

Sulfhydryl oxidase 1, also known as Quiescin Q6, is a pivotal enzyme that catalyzes the oxidation of sulfhydryl groups in peptides and proteins to disulfides, facilitating the reduction of oxygen to hydrogen peroxide. This process is crucial for disulfide bond formation in various extracellular proteins, impacting cell-cell adhesion and cell migration by influencing the incorporation of laminin into the extracellular matrix.

Therapeutic significance:

Understanding the role of Sulfhydryl oxidase 1 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes underscores its potential as a target for therapeutic intervention in diseases where cell adhesion and migration play a key role.