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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8WYN0
UPID:
ATG4A_HUMAN
Alternative names:
AUT-like 2 cysteine endopeptidase; Autophagy-related cysteine endopeptidase 2; Autophagy-related protein 4 homolog A
Alternative UPACC:
Q8WYN0; A6NCH2; B2RAZ7; D3DUY0; O95534; Q5JYY9; Q5JYZ0; Q86VE5; Q96KQ0; Q96KQ1
Background:
Cysteine protease ATG4A, also known as AUT-like 2 cysteine endopeptidase, plays a pivotal role in autophagy, mediating proteolytic activation and delipidation of ATG8 family proteins. This enzyme is essential for the conjugation of ATG8 proteins to phosphatidylethanolamine, a critical step for membrane insertion and autophagy progression. ATG4A exhibits a unique substrate preference and possesses both protease and deubiquitinating-like activities, distinguishing it from its homolog ATG4B by its stronger delipidation capability.
Therapeutic significance:
Understanding the role of Cysteine protease ATG4A could open doors to potential therapeutic strategies.