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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P0DP24
UPID:
CALM2_HUMAN
Alternative names:
-
Alternative UPACC:
P0DP24; P02593; P62158; P70667; P99014; Q13942; Q53S29; Q61379; Q61380; Q96HK3
Background:
Calmodulin-2, encoded by the CALM2 gene, plays a pivotal role in calcium signal transduction pathways. It regulates a myriad of enzymes, ion channels, and proteins through calcium-binding. Notably, it activates protein kinases like myosin light-chain kinases and CaMK2, and phosphatases. It's also involved in the centrosome cycle and cytokinesis, mediates calcium-dependent inactivation of CACNA1C, and enhances KCNN2 channel activity.
Therapeutic significance:
Mutations in CALM2 are linked to Long QT Syndrome 15, a cardiac disorder marked by ventricular arrhythmias and sudden death. Understanding the role of Calmodulin-2 could open doors to potential therapeutic strategies for heart rhythm abnormalities.