Focused On-demand Library for Archaemetzincin-2

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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q86W34

UPID:

AMZ2_HUMAN

Alternative names:

Archeobacterial metalloproteinase-like protein 2

Alternative UPACC:

Q86W34; A6NLD9; B3KR44; Q5XKF1; Q9NZE2

Background:

Archaemetzincin-2, also known as Archeobacterial metalloproteinase-like protein 2, is identified as a probable zinc metalloprotease. This classification suggests its involvement in catalyzing the cleavage of peptide bonds in proteins, a critical process in various biological functions including metabolism, signal transduction, and cellular regulation.

Therapeutic significance:

Understanding the role of Archaemetzincin-2 could open doors to potential therapeutic strategies. Its enzymatic activity, associated with the regulation of extracellular matrix components, positions it as a key target for the development of interventions in diseases where these processes are dysregulated.