Focused On-demand Library for DNA repair protein complementing XP-C cells

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q01831

UPID:

XPC_HUMAN

Alternative names:

Xeroderma pigmentosum group C-complementing protein; p125

Alternative UPACC:

Q01831; B4DIP3; E9PB96; E9PH69; Q53GT7; Q96AX0

Background:

The DNA repair protein complementing XP-C cells, also known as Xeroderma pigmentosum group C-complementing protein or p125, plays a pivotal role in global genome nucleotide excision repair (GG-NER). It acts as a damage sensing and DNA-binding factor within the XPC complex, crucial for detecting DNA helix distortions such as single-stranded loops and mismatched bubbles. Its ability to rapidly screen duplex DNA for non-hydrogen-bonded bases positions it as a dynamic sensor in the DNA damage response pathway.

Therapeutic significance:

Given its central role in DNA repair, the protein is directly implicated in Xeroderma pigmentosum complementation group C, a disorder marked by heightened skin cancer risk and solar hypersensitivity. Understanding the role of DNA repair protein complementing XP-C cells could open doors to potential therapeutic strategies, particularly in enhancing DNA repair mechanisms or developing targeted treatments for related skin conditions.