Focused On-demand Library for DNA excision repair protein ERCC-6

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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.


Our high-tech, dedicated method is applied to construct targeted 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
Q03468

UPID:
ERCC6_HUMAN

ALTERNATIVE NAMES:
ATP-dependent helicase ERCC6; Cockayne syndrome protein CSB

ALTERNATIVE UPACC:
Q03468; D3DX94; E7EV46; Q5W0L9

BACKGROUND:
The DNA excision repair protein ERCC-6, known for its roles as ATP-dependent helicase ERCC6 and Cockayne syndrome protein CSB, is essential in transcription-coupled nucleotide excision repair. It modifies DNA conformation upon binding, facilitating the rapid removal of lesions that block RNA polymerase II, crucial for maintaining genetic fidelity. ERCC-6's involvement in repair complex formation and protein recruitment underscores its importance in cellular repair processes.

THERAPEUTIC SIGNIFICANCE:
Linked to a spectrum of disorders including Cockayne syndrome B, Cerebro-oculo-facio-skeletal syndrome 1, and De Sanctis-Cacchione syndrome, ERCC-6's therapeutic significance is profound. Its role in age-related macular degeneration and UV-sensitive syndrome 1 further highlights its potential as a target for therapeutic intervention. Exploring DNA excision repair protein ERCC-6's function offers promising avenues for developing treatments for these conditions.

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