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.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96DT6
UPID:
ATG4C_HUMAN
Alternative names:
AUT-like 3 cysteine endopeptidase; Autophagy-related cysteine endopeptidase 3; Autophagy-related protein 4 homolog C
Alternative UPACC:
Q96DT6; A6NLR8; D3DQ58; Q96K04
Background:
Cysteine protease ATG4C, also known as AUT-like 3 cysteine endopeptidase, plays a pivotal role in autophagy, mediating proteolytic activation and delipidation of ATG8 family proteins. It is essential for the conjugation of ATG8 proteins to phosphatidylethanolamine (PE) and their insertion into membranes, a critical step for autophagy. ATG4C exhibits a unique balance of protease activity and delipidation capability compared to its homolog ATG4B, showcasing a stronger delipidation activity.
Therapeutic significance:
Understanding the role of Cysteine protease ATG4C could open doors to potential therapeutic strategies.