Focused On-demand Library for Aprataxin and PNK-like factor

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.

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 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q8IW19

UPID:

APLF_HUMAN

Alternative names:

Apurinic-apyrimidinic endonuclease APLF; PNK and APTX-like FHA domain-containing protein; XRCC1-interacting protein 1

Alternative UPACC:

Q8IW19; A8K476; Q53P47; Q53PB9; Q53QU0

Background:

Aprataxin and PNK-like factor (APLF) plays a crucial role in DNA repair, acting as a histone chaperone involved in both single-strand and double-strand DNA break repair. It is recruited to sites of DNA damage, where it facilitates histone eviction and promotes the recruitment of histone variant MACROH2A1. APLF also exhibits nuclease activity, including apurinic-apyrimidinic (AP) endonuclease and 3'-5' exonuclease activities, and is involved in non-homologous end-joining (NHEJ) DNA repair pathways.

Therapeutic significance:

Understanding the role of Aprataxin and PNK-like factor could open doors to potential therapeutic strategies.