Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y4P1
UPID:
ATG4B_HUMAN
Alternative names:
AUT-like 1 cysteine endopeptidase; Autophagy-related cysteine endopeptidase 1; Autophagy-related protein 4 homolog B
Alternative UPACC:
Q9Y4P1; B7WNK2; Q53NU4; Q6ZUV8; Q8WYM9; Q96K07; Q96K96; Q96SZ1; Q9Y2F2
Background:
Cysteine protease ATG4B, known for its pivotal role in autophagy, mediates the proteolytic activation and delipidation of ATG8 family proteins. This enzyme is essential for various autophagy processes, including canonical, non-canonical, and mitophagy. ATG4B's activity facilitates the conjugation of ATG8 proteins to phosphatidylethanolamine, crucial for autophagosome formation. Its unique ability to cleave and delipidate ATG8 proteins underscores its significance in cellular homeostasis.
Therapeutic significance:
Understanding the role of Cysteine protease ATG4B could open doors to potential therapeutic strategies.