Focused On-demand Library for Suppressor of tumorigenicity 14 protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

Our high-tech, dedicated method is applied to construct 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

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:

Suppressor of tumorigenicity 14 protein, also known as Matriptase, plays a pivotal role in the keratinization process, a key aspect of skin development and repair. Exhibiting trypsin-like activity, it cleaves synthetic substrates, thereby activating crucial proteins like prostasin and filaggrin, essential for skin differentiation and desquamation. Its ability to activate TMPRSS13 further underscores its significance in cellular processes.

Therapeutic significance:

Given its involvement in congenital ichthyosis, autosomal recessive 11, a disorder marked by abnormal skin scaling, understanding the role of Suppressor of tumorigenicity 14 protein could open doors to potential therapeutic strategies. Targeting its pathway offers a promising avenue for treating skin disorders characterized by impaired keratinization.