Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P23946
UPID:
CMA1_HUMAN
Alternative names:
Alpha-chymase; Mast cell protease I
Alternative UPACC:
P23946; B5BUM8; Q16018; Q3SY36; Q3SY37; Q9UDH5
Background:
Chymase, also known as Alpha-chymase and Mast cell protease I, is a pivotal enzyme secreted by mast cells. It plays a crucial role in various physiological processes, including the generation of vasoactive peptides, degradation of the extracellular matrix, and regulation of gland secretion. Its unique enzymatic activities position it as a key player in the modulation of biological responses.
Therapeutic significance:
Understanding the role of Chymase could open doors to potential therapeutic strategies. Its involvement in critical biological pathways suggests that targeting Chymase could offer novel approaches for the treatment of diseases where mast cell activity is implicated.