Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BR39
UPID:
JPH2_HUMAN
Alternative names:
Junctophilin type 2
Alternative UPACC:
Q9BR39; E1P5X1; O95913; Q5JY74; Q9UJN4
Background:
Junctophilin-2, alternatively known as Junctophilin type 2, plays a pivotal role in cardiac muscle cells by bridging the plasma membrane and the sarcoplasmic reticulum. This protein is essential for normal excitation-contraction coupling, a process critical for heartbeats, by maintaining the optimal distance between membranes for calcium ion signaling. Its function extends to skeletal muscle, where it contributes to the structure of triad junctions.
Therapeutic significance:
Junctophilin-2 is implicated in serious heart conditions such as familial hypertrophic cardiomyopathy and dilated cardiomyopathy. These diseases, characterized by heart muscle dysfunction, highlight the protein's potential as a target for therapeutic intervention. Understanding Junctophilin-2's role could lead to breakthroughs in treating heart disease, offering hope for patients with these genetic disorders.