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.
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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P51124
UPID:
GRAM_HUMAN
Alternative names:
Met-1 serine protease; Met-ase; Natural killer cell granular protease
Alternative UPACC:
P51124
Background:
Granzyme M, also known as Met-1 serine protease, Met-ase, and Natural killer cell granular protease, is a critical enzyme that cleaves peptide substrates following methionine, leucine, and norleucine. Its physiological substrates include EZR, alpha-tubulins, and the apoptosis inhibitor BIRC5/Survivin, playing a pivotal role in promoting caspase activation and apoptosis in target cells.
Therapeutic significance:
Understanding the role of Granzyme M could open doors to potential therapeutic strategies, especially in manipulating apoptosis for cancer therapy and immune regulation.