Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P40313
UPID:
CTRL_HUMAN
Alternative names:
-
Alternative UPACC:
P40313
Background:
Chymotrypsin-like protease CTRL-1, encoded by the gene with accession number P40313, plays a crucial role in proteolytic processes, which are essential for protein degradation and turnover. Its catalytic activity is pivotal in the breakdown of peptide bonds, facilitating the recycling of amino acids for new protein synthesis.
Therapeutic significance:
Understanding the role of Chymotrypsin-like protease CTRL-1 could open doors to potential therapeutic strategies. Its involvement in proteolytic processes makes it a candidate for targeting in diseases where protein accumulation or misfolding is a concern, offering a new avenue for drug discovery.