Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q7Z3C6
UPID:
ATG9A_HUMAN
Alternative names:
APG9-like 1; mATG9
Alternative UPACC:
Q7Z3C6; Q3ZAQ6; Q6P0N7; Q7Z317; Q7Z320; Q8NDK6; Q8WU65; Q9BVL5; Q9H6L1; Q9HAG7
Background:
Autophagy-related protein 9A (APG9-like 1, mATG9) is a pivotal phospholipid scramblase facilitating autophagy through autophagosomal membrane expansion. It dynamically transitions between the preautophagosomal structure and the cytoplasmic vesicle pool, enriching the autophagosome with necessary phospholipids. Its lipid scramblase activity is crucial for distributing phospholipids across the bilayer, driven by ATG2-mediated transfer, thereby promoting membrane growth. Additionally, it aids in recruiting PI4KB to the autophagosome initiation site via ARFIP2, enhancing phosphatidylinositol 4-phosphate availability.
Therapeutic significance:
Understanding the role of Autophagy-related protein 9A could open doors to potential therapeutic strategies.