Focused On-demand Library for Protein argonaute-3

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.

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

Q9H9G7

UPID:

AGO3_HUMAN

Alternative names:

Argonaute RISC catalytic component 3; Eukaryotic translation initiation factor 2C 3

Alternative UPACC:

Q9H9G7; B1ALI0; Q5TA55; Q9H1U6

Background:

Protein argonaute-3, also known as Argonaute RISC catalytic component 3 and Eukaryotic translation initiation factor 2C 3, plays a pivotal role in RNA-mediated gene silencing. It binds to microRNAs, repressing the translation of complementary mRNAs, and is involved in the stabilization and degradation of certain mRNAs through siRNA derived from Alu repeats. This protein also exhibits selective RNA slicer activity.

Therapeutic significance:

Understanding the role of Protein argonaute-3 could open doors to potential therapeutic strategies.