Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9BYE2

UPID:
TMPSD_HUMAN

ALTERNATIVE NAMES:
Membrane-type mosaic serine protease

ALTERNATIVE UPACC:
Q9BYE2; B4DTM9; E9PIJ5; E9PRA0; F8WAJ3; J3KQC6; Q1RMF8; Q86YM4; Q96JY8; Q9BYE1

BACKGROUND:
The Transmembrane protease serine 13, alternatively named Membrane-type mosaic serine protease, is integral to cellular and developmental processes. It functions as a serine protease, facilitating the cleavage and activation of PRSS8/prostasin and HGF, which are essential for MAPK signaling and the development of the epidermal barrier in embryos. This protease's activity underscores its critical role in skin development and wound healing.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Transmembrane protease serine 13 holds promise for unveiling novel therapeutic avenues. Given its crucial role in skin development and repair, targeting this protease could lead to breakthroughs in treatments for skin-related conditions and enhance our understanding of developmental biology.

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