Focused On-demand Library for Tumor necrosis factor ligand superfamily member 6

Focused On-demand Libraries - Reaxense 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P48023

UPID:

TNFL6_HUMAN

Alternative names:

Apoptosis antigen ligand; CD95 ligand; Fas antigen ligand

Alternative UPACC:

P48023; Q9BZP9

Background:

Tumor necrosis factor ligand superfamily member 6, also known as Fas ligand, plays a pivotal role in regulating apoptosis. It binds to TNFRSF6/FAS, initiating apoptotic signals. This protein is crucial in T-cell development, cytotoxic T-cell, and natural killer cell-mediated apoptosis. It also participates in activation-induced cell death, contributing to immune response termination and peripheral tolerance induction.

Therapeutic significance:

Autoimmune lymphoproliferative syndrome 1B, a disorder linked to gene variants affecting this protein, showcases its clinical relevance. Understanding the role of Tumor necrosis factor ligand superfamily member 6 could open doors to potential therapeutic strategies for autoimmune and inflammatory diseases.