Focused On-demand Library for Tumor necrosis factor receptor type 1-associated DEATH domain protein

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q15628

UPID:

TRADD_HUMAN

Alternative names:

TNFRSF1A-associated via death domain

Alternative UPACC:

Q15628; B2RDS3; B3KQZ9; Q52NZ1

Background:

The Tumor necrosis factor receptor type 1-associated DEATH domain protein (TRADD) serves as a crucial adapter molecule for TNFRSF1A/TNFR1, facilitating its interaction with FADD. This interaction is pivotal for the activation of apoptosis and NF-kappa-B pathways following TNF induction. Additionally, TRADD's nuclear form acts as a tumor suppressor by stabilizing isoform p19ARF/ARF of CDKN2A, preventing its degradation.

Therapeutic significance:

Understanding the role of Tumor necrosis factor receptor type 1-associated DEATH domain protein could open doors to potential therapeutic strategies.