AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA excision repair protein ERCC-5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P28715

UPID:

ERCC5_HUMAN

Alternative names:

DNA repair protein complementing XP-G cells; Xeroderma pigmentosum group G-complementing protein

Alternative UPACC:

P28715; A6NGT4; Q5JUS4; Q5JUS5; Q7Z2V3; Q8IZL6; Q8N1B7; Q9HD59; Q9HD60

Background:

The DNA excision repair protein ERCC-5, also known as the DNA repair protein complementing XP-G cells, plays a pivotal role in DNA repair mechanisms. It is involved in nucleotide excision repair (NER), base excision repair (BER), transcription-coupled nucleotide excision repair (TCR), DNA replication fork maintenance, and homologous recombination repair (HRR). ERCC-5's ability to bind and bend DNA facilitates the repair of damaged DNA by making crucial incisions and recruiting other repair proteins.

Therapeutic significance:

ERCC-5 is linked to Xeroderma pigmentosum complementation group G and Cerebro-oculo-facio-skeletal syndrome 3, diseases characterized by skin abnormalities, neurological issues, and increased cancer risk. Understanding the role of ERCC-5 could open doors to potential therapeutic strategies for these conditions by targeting its repair mechanisms.

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