Focused On-demand Library for Non-homologous end-joining factor 1

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.







Alternative names:

Protein cernunnos; XRCC4-like factor

Alternative UPACC:

Q9H9Q4; B8ZZA4; Q4ZFW7; Q6IA64; Q96JS9


Non-homologous end-joining factor 1, also known as Protein cernunnos or XRCC4-like factor, plays a crucial role in DNA repair. It is pivotal in the DNA non-homologous end joining (NHEJ) process, essential for double-strand break (DSB) repair and V(D)J recombination. This protein promotes the ligation of mismatched and non-cohesive ends, collaborating with PAXX and DNA polymerase lambda to join non-cohesive DNA ends. It forms complexes with XRCC4, bridging broken DNA fragments for repair.

Therapeutic significance:

Severe combined immunodeficiency due to NHEJ1 deficiency highlights the critical role of Non-homologous end-joining factor 1 in immune system development and function. Understanding the role of Non-homologous end-joining factor 1 could open doors to potential therapeutic strategies for genetic disorders characterized by impaired DNA repair mechanisms.

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