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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O95352
UPID:
ATG7_HUMAN
Alternative names:
ATG12-activating enzyme E1 ATG7; Autophagy-related protein 7; Ubiquitin-activating enzyme E1-like protein
Alternative UPACC:
O95352; B4E170; E9PB95; Q7L8L0; Q9BWP2; Q9UFH4
Background:
Ubiquitin-like modifier-activating enzyme ATG7, also known as ATG12-activating enzyme E1 ATG7 and Autophagy-related protein 7, plays a pivotal role in autophagy, facilitating the conjugation of ATG12 with ATG5 and the ATG8 family proteins with phosphatidylethanolamine. This process is essential for the formation of autophagosomes, contributing to cellular homeostasis by regulating mitochondrial quantity and quality, modulating p53/TP53 activity, and supporting axonal homeostasis.
Therapeutic significance:
ATG7's involvement in Spinocerebellar ataxia, autosomal recessive, 31, underscores its potential as a therapeutic target. Understanding the role of ATG7 could open doors to potential therapeutic strategies for treating neurodegenerative diseases and conditions related to autophagy dysfunction.