Focused On-demand Library for Suppressor of tumorigenicity 14 protein

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
Q9Y5Y6

UPID:
ST14_HUMAN

ALTERNATIVE NAMES:
Matriptase; Membrane-type serine protease 1; Prostamin; Serine protease 14; Serine protease TADG-15; Tumor-associated differentially-expressed gene 15 protein

ALTERNATIVE UPACC:
Q9Y5Y6; Q9BS01; Q9H3S0; Q9HB36; Q9HCA3

BACKGROUND:
The Suppressor of tumorigenicity 14 protein, known alternatively as Matriptase, is integral to skin health, facilitating the terminal differentiation of keratinocytes. It achieves this through the activation of key proteins such as prostasin and filaggrin, and by cleaving TMPRSS13, highlighting its critical role in skin barrier formation and maintenance.

THERAPEUTIC SIGNIFICANCE:
Its direct link to congenital ichthyosis, autosomal recessive 11, a severe skin disorder, underscores the therapeutic potential of targeting this protein. By elucidating the mechanisms by which Suppressor of tumorigenicity 14 protein influences skin pathology, novel treatment modalities for a range of dermatological conditions could be developed.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.