Focused On-demand Library for Chromodomain-helicase-DNA-binding protein 1

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.

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 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

O14646

UPID:

CHD1_HUMAN

Alternative names:

ATP-dependent helicase CHD1

Alternative UPACC:

O14646; Q17RZ3

Background:

Chromodomain-helicase-DNA-binding protein 1 (CHD1) is an ATP-dependent helicase integral to chromatin remodeling. It plays a pivotal role in transcription regulation via the SAGA complex, influences RNA polymerase I and II activities, and is crucial for maintaining genome integrity and embryonic stem cell pluripotency. CHD1's association with histone acetylation and deacetylation complexes underscores its multifaceted role in modulating chromatin structure.

Therapeutic significance:

CHD1's mutation is linked to Pilarowski-Bjornsson syndrome, characterized by developmental delay, intellectual disability, and autism. Understanding CHD1's function could pave the way for innovative treatments targeting this syndrome and potentially other chromatin-related disorders.