Focused On-demand Library for Ferroptosis suppressor protein 1

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.

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.

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

Q9BRQ8

UPID:

FSP1_HUMAN

Alternative names:

Apoptosis-inducing factor homologous mitochondrion-associated inducer of death; p53-responsive gene 3 protein

Alternative UPACC:

Q9BRQ8; B3KXI0; Q63Z39

Background:

Ferroptosis suppressor protein 1, also known as Apoptosis-inducing factor homologous mitochondrion-associated inducer of death and p53-responsive gene 3 protein, plays a pivotal role in inhibiting ferroptosis. It functions as a NAD(P)H-dependent oxidoreductase, crucial for reducing coenzyme Q to ubiquinol-10 at the plasma membrane, thereby preventing lipid oxidative damage. This protein operates alongside GPX4 to thwart phospholipid peroxidation and ferroptosis, independent of cellular glutathione levels. Additionally, it serves as a radical-trapping antioxidant by facilitating warfarin-resistant vitamin K reduction, and may signal mitochondrial stress upon oxidative stress, linking to DNA damage and cell death.

Therapeutic significance:

Understanding the role of Ferroptosis suppressor protein 1 could open doors to potential therapeutic strategies.