Focused On-demand Library for Protein PAXX

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q9BUH6

UPID:

PAXX_HUMAN

Alternative names:

Paralog of XRCC4 and XLF; XRCC4-like small protein

Alternative UPACC:

Q9BUH6; Q8IY19

Background:

Protein PAXX, also known as Paralog of XRCC4 and XLF or XRCC4-like small protein, plays a crucial role in DNA repair mechanisms, specifically in DNA non-homologous end joining (NHEJ). It is involved in the repair of double-strand breaks (DSBs) and V(D)J recombination, essential processes for maintaining genomic stability. PAXX acts as a scaffold for the Ku heterodimer, facilitating the assembly of the NHEJ machinery at break sites.

Therapeutic significance:

Understanding the role of Protein PAXX could open doors to potential therapeutic strategies. Its involvement in DNA repair pathways highlights its potential as a target for enhancing the efficacy of cancer treatments that induce DNA damage.