Focused On-demand Library for Double homeobox protein 4

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

Q9UBX2

UPID:

DUX4_HUMAN

Alternative names:

Double homeobox protein 10

Alternative UPACC:

Q9UBX2; E2JJS1

Background:

Double homeobox protein 4 (DUX4) functions as a transcription factor, crucial during early embryogenesis. It binds to specific DNA elements, regulating gene expression by promoting or inhibiting histone acetylation. DUX4's role extends to activating essential proteins like ZSCAN4 and KDM4E, and it may also influence microRNA expression. Its involvement in transcriptional regulation underscores its significance in cellular processes.

Therapeutic significance:

DUX4's aberrant expression is linked to Facioscapulohumeral muscular dystrophy 1 (FSHD1), a degenerative muscle disease. The disease mechanism involves the reduction of D4Z4 macrosatellite repeats on chromosome 4q35, leading to DUX4 misexpression. Understanding DUX4's role could pave the way for innovative therapeutic strategies targeting its pathway to mitigate FSHD1 progression.