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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
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.