Focused On-demand Library for Apoptosis-inducing factor 1, mitochondrial

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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.

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

O95831

UPID:

AIFM1_HUMAN

Alternative names:

Programmed cell death protein 8

Alternative UPACC:

O95831; A4QPB4; B1ALN1; B2RB08; D3DTE9; E9PRR0; Q1L6K4; Q1L6K6; Q2QKE4; Q5JUZ7; Q6I9X6; Q9Y3I3; Q9Y3I4

Background:

Apoptosis-inducing factor 1, mitochondrial (AIF1), also known as Programmed cell death protein 8, plays a dual role in cell metabolism and apoptosis. It functions as an NADH oxidoreductase in mitochondria, contributing to cellular respiration and energy production. Additionally, AIF1 acts as a pro-apoptotic factor, mediating caspase-independent cell death through its release from mitochondria into the cytosol and nucleus upon apoptotic stimuli.

Therapeutic significance:

AIF1 is implicated in several neurodegenerative and neuromuscular disorders, including Combined oxidative phosphorylation deficiency 6, Charcot-Marie-Tooth disease, and X-linked deafness with peripheral neuropathy. Understanding the role of AIF1 could open doors to potential therapeutic strategies for these conditions by targeting its apoptotic and metabolic functions.