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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8WXH2
UPID:
JPH3_HUMAN
Alternative names:
Junctophilin type 3; Trinucleotide repeat-containing gene 22 protein
Alternative UPACC:
Q8WXH2; D3DUN2; Q8N471; Q9HDC3; Q9HDC4
Background:
Junctophilin-3, also known as Junctophilin type 3 or Trinucleotide repeat-containing gene 22 protein, plays a crucial role in the formation of junctional membrane complexes (JMCs). These complexes are essential for linking the plasma membrane with the endoplasmic or sarcoplasmic reticulum in excitable cells, facilitating functional cross-talk between the cell surface and intracellular calcium release channels. Specifically, JPH3 is brain-specific, actively participating in neurons involved in motor coordination and memory.
Therapeutic significance:
Junctophilin-3's involvement in Huntington disease-like 2, a neurodegenerative disorder characterized by the loss of neurons in the striatum, underscores its potential as a therapeutic target. Understanding the role of Junctophilin-3 could open doors to potential therapeutic strategies for treating or managing Huntington disease-like 2 and related neurodegenerative conditions.