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

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q03468

UPID:

ERCC6_HUMAN

Alternative names:

ATP-dependent helicase ERCC6; Cockayne syndrome protein CSB

Alternative UPACC:

Q03468; D3DX94; E7EV46; Q5W0L9

Background:

DNA excision repair protein ERCC-6, also known as ATP-dependent helicase ERCC6 or Cockayne syndrome protein CSB, plays a pivotal role in transcription-coupled nucleotide excision repair. It facilitates the removal of RNA polymerase II-blocking lesions from active genes, thereby ensuring the integrity of genetic information. Its DNA-binding ability alters DNA conformation, promoting repair complex formation and recruiting essential nucleotide excision repair proteins.

Therapeutic significance:

ERCC-6 is crucial in diseases like Cockayne syndrome B, Cerebro-oculo-facio-skeletal syndrome 1, De Sanctis-Cacchione syndrome, age-related macular degeneration, and UV-sensitive syndrome 1. These conditions underscore the protein's significance in DNA repair mechanisms. Understanding the role of DNA excision repair protein ERCC-6 could open doors to potential therapeutic strategies for these genetic disorders.