AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Trypsin-3

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P35030

UPID:

TRY3_HUMAN

Alternative names:

Brain trypsinogen; Mesotrypsin; Mesotrypsinogen; Serine protease 3; Serine protease 4; Trypsin III; Trypsin IV

Alternative UPACC:

P35030; A8CED1; A8CED3; A9Z1Y4; E7ES07; F8W7P3; P15951; Q15665; Q5VXV0; Q6ISJ4; Q9UQV3

Background:

Trypsin-3, known by alternative names such as Brain trypsinogen, Mesotrypsin, and Serine protease 3, is a digestive protease with a unique ability to cleave proteins preferentially after an Arg residue. It exhibits proteolytic activity towards Kunitz-type trypsin inhibitors, highlighting its specialized function in protein digestion.

Therapeutic significance:

Understanding the role of Trypsin-3 could open doors to potential therapeutic strategies. Its specific proteolytic activity suggests a nuanced role in digestive processes, which, if harnessed, could lead to novel treatments for digestive disorders.

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