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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H2R5
UPID:
KLK15_HUMAN
Alternative names:
ACO protease
Alternative UPACC:
Q9H2R5; A0AUY8; Q15358; Q6ISI0; Q9H2R3; Q9H2R4; Q9H2R6; Q9HBG9
Background:
Kallikrein-15, also known as ACO protease, is a protease enzyme with a yet unidentified physiological substrate. Its alternative name and unique enzyme classification underscore its distinct role in biological processes.
Therapeutic significance:
Understanding the role of Kallikrein-15 could open doors to potential therapeutic strategies. Its unique enzymatic activity suggests a pivotal role in physiological processes, making it a target of interest in drug discovery.