Focused On-demand Library for Chromodomain-helicase-DNA-binding protein 4

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
Receptor.AI
 
UPACC
Q14839

UPID:
CHD4_HUMAN

ALTERNATIVE NAMES:
ATP-dependent helicase CHD4; Mi-2 autoantigen 218 kDa protein; Mi2-beta

ALTERNATIVE UPACC:
Q14839; Q8IXZ5

BACKGROUND:
The protein Chromodomain-helicase-DNA-binding protein 4, with aliases such as Mi-2 autoantigen 218 kDa protein, is integral to neurogenesis and chromatin remodeling. As part of the histone deacetylase NuRD complex, CHD4 localizes to acetylated damaged chromatin, playing a crucial role in transcriptional repression and homologous recombination for DNA repair.

THERAPEUTIC SIGNIFICANCE:
Given CHD4's critical function in Sifrim-Hitz-Weiss syndrome, exploring its biological pathways offers a promising avenue for developing targeted therapies. The protein's role in DNA repair and chromatin remodeling makes it a compelling candidate for drug discovery efforts aimed at treating genetic and developmental disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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