Focused On-demand Library for Chromodomain-helicase-DNA-binding protein 8

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

ATP-dependent helicase CHD8; Helicase with SNF2 domain 1

Alternative UPACC:

Q9HCK8; Q4G0D8; Q68DQ0; Q6DKH9; Q6P440; Q6ZNL7; Q8N3Z9; Q8NCY4; Q8TBR9; Q96F26


Chromodomain-helicase-DNA-binding protein 8 (CHD8), also known as ATP-dependent helicase CHD8, plays a pivotal role in DNA repair, transcription regulation, and chromatin remodeling. It acts as a transcription repressor, regulating gene expression by remodeling chromatin structure and recruiting histone H1. CHD8 negatively regulates the Wnt signaling pathway and STAT3 activity, influencing cell cycle, neuronal differentiation, and DNA repair.

Therapeutic significance:

CHD8 is linked to Intellectual developmental disorder with autism and macrocephaly, a condition marked by impaired intellectual development and a highly penetrant autism spectrum phenotype. Understanding CHD8's role could unveil new therapeutic strategies for managing this disorder, emphasizing its significance in genetic research and drug discovery.

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