Focused On-demand Library for Ferroptosis suppressor protein 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.