Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q13557
UPID:
KCC2D_HUMAN
Alternative names:
-
Alternative UPACC:
Q13557; A8MVS8; Q52PK4; Q59G21; Q8N553; Q9UGH6; Q9UQE9
Background:
Calcium/calmodulin-dependent protein kinase type II subunit delta plays a pivotal role in Ca(2+) homeostasis and excitation-contraction coupling in the heart. It targets ion channels, transporters, and proteins involved in Ca(2+) dynamics, contributing to heart function and response to myocardial infarction. Its activity affects transcription factors and signaling molecules, influencing cardiac hypertrophy and heart failure.
Therapeutic significance:
Understanding the role of Calcium/calmodulin-dependent protein kinase type II subunit delta could open doors to potential therapeutic strategies for heart diseases, including dilated cardiomyopathy and heart failure.