Focused On-demand Library for Ferroptosis suppressor protein 1

Details

Focused On-demand Libraries - Receptor.AI 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.


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 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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.

PARTNER
Receptor.AI
 
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:
The Ferroptosis suppressor protein 1, identified by its alternative names Apoptosis-inducing factor homologous mitochondrion-associated inducer of death and p53-responsive gene 3 protein, is a key inhibitor of ferroptosis. It achieves this through its activity as a NAD(P)H-dependent oxidoreductase, reducing coenzyme Q/ubiquinone-10 to its antioxidant form, ubiquinol-10, at the plasma membrane to avert lipid oxidative damage. Working in tandem with GPX4, it suppresses phospholipid peroxidation and ferroptosis, a function not reliant on glutathione levels. It also acts as a radical-trapping antioxidant in the vitamin K cycle and is implicated in mitochondrial stress signaling and oxidative stress-induced DNA damage and cell death.

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

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