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

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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.


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
Q86WJ1

UPID:
CHD1L_HUMAN

ALTERNATIVE NAMES:
Amplified in liver cancer protein 1

ALTERNATIVE UPACC:
Q86WJ1; A5YM64; B4DDE1; B5MDZ7; Q53EZ3; Q5VXX7; Q6DD94; Q6PK83; Q86XH3; Q96HF7; Q96SP3; Q9BVJ1; Q9NVV8

BACKGROUND:
The protein Chromodomain-helicase-DNA-binding protein 1-like, known alternatively as Amplified in liver cancer protein 1, is integral to the DNA damage repair process. It is recruited to sites of DNA damage, where it binds to poly-ADP-ribosylated histones, activating its ATP-dependent chromatin remodeling activity. This activity is essential for nucleosome repositioning and the facilitation of PARP2 removal from chromatin, critical steps in the repair of damaged DNA.

THERAPEUTIC SIGNIFICANCE:
The exploration of Chromodomain-helicase-DNA-binding protein 1-like's function in chromatin remodeling and DNA repair presents a promising avenue for therapeutic intervention. By targeting this protein, novel strategies could be developed to modulate the DNA damage response, offering potential treatments for conditions with underlying genomic instability.

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