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. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6ZMR5
UPID:
TM11A_HUMAN
Alternative names:
Airway trypsin-like protease 1; Epidermal type-II transmembrane serine protease; Esophageal cancer-susceptibility gene 1 protein
Alternative UPACC:
Q6ZMR5; J3KNQ8; Q2NKI9; Q6JE90; Q7RTY4; Q86TK8
Background:
Transmembrane protease serine 11A, known as Airway trypsin-like protease 1, plays a crucial role in cellular senescence. Its overexpression can inhibit cell growth and induce G1 cell cycle arrest, highlighting its significance in cell regulation.
Therapeutic significance:
Understanding the role of Transmembrane protease serine 11A could open doors to potential therapeutic strategies. Its involvement in cell cycle regulation presents a promising avenue for research into cancer and age-related diseases.