Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P0DP23
UPID:
CALM1_HUMAN
Alternative names:
-
Alternative UPACC:
P0DP23; P02593; P62158; P70667; P99014; Q13942; Q53S29; Q61379; Q61380; Q96HK3
Background:
Calmodulin-1 plays a pivotal role in calcium signal transduction, influencing the activity of numerous enzymes, ion channels, and proteins. Its interaction with calcium is essential for its activation, impacting processes such as muscle contraction, cell division, and cardiac function. The protein's involvement in regulating the centrosome cycle and cytokinesis underscores its importance in cellular integrity and division.
Therapeutic significance:
Calmodulin-1 mutations are linked to life-threatening cardiac conditions like Ventricular tachycardia, catecholaminergic polymorphic, 4, and Long QT syndrome 14. These associations highlight the protein's critical role in cardiac electrical activity and present it as a potential target for therapeutic intervention in arrhythmogenic disorders.