Focused On-demand Library for Lipopolysaccharide-induced tumor necrosis factor-alpha factor

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

We employ our advanced, specialised process to create 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

Q99732

UPID:

LITAF_HUMAN

Alternative names:

Small integral membrane protein of lysosome/late endosome; p53-induced gene 7 protein

Alternative UPACC:

Q99732; D3DUG1; G5E9K0; Q05DW0; Q9C0L6

Background:

The Lipopolysaccharide-induced tumor necrosis factor-alpha factor, also known as Small integral membrane protein of lysosome/late endosome or p53-induced gene 7 protein, plays a crucial role in endosomal protein trafficking and lysosomal degradation. It targets endocytosed EGFR and ERGG3 for lysosomal degradation, regulating downstream signaling cascades. Additionally, it facilitates the recruitment of ESCRT complex components to cytoplasmic membranes and interacts with NEDD4 to regulate protein degradation. This protein also contributes to gene expression regulation in the nucleus and may bind DNA, playing a role in cytokine expression regulation.

Therapeutic significance:

Given its involvement in Charcot-Marie-Tooth disease, demyelinating, 1C, understanding the role of Lipopolysaccharide-induced tumor necrosis factor-alpha factor could open doors to potential therapeutic strategies for this peripheral nervous system disorder. Its function in protein trafficking and degradation pathways offers a promising target for developing treatments aimed at modulating these processes in disease contexts.