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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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.

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

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.