These authors contributed equally to this work.
Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling
Article first published online: 26 JUN 2013
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Volume 8, Issue 8, pages 1270–1275, August 2013
How to Cite
Zhao, Z., Zhang, Z., Li, Y., Zhou, M., Li, X., Yu, B. and Wang, R. (2013), Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling. ChemMedChem, 8: 1270–1275. doi: 10.1002/cmdc.201300256
- Issue published online: 29 JUL 2013
- Article first published online: 26 JUN 2013
- Manuscript Received: 7 JUN 2013
- Chinese National Natural Science Foundation. Grant Numbers: 81172984, 21072213, 21002117, 21102168, 21102165, 20921091
- Chinese Ministry of Science and Technology. Grant Number: 2012AA020308
- Chinese Academy of Sciences
- molecular modeling;
- protein–protein interactions
Breaking things down: Disruption of the Atg5–Atg16 protein–protein interaction is a potential strategy for the development of effective inhibitors of autophagy. Using a structural model of the human Atg5–Atg16 complex, a total of 30 Atg16-based peptides were designed and tested for their binding affinity to Atg5. A number of these peptides exhibited binding affinities in the low micromolar range. Furthermore, three Atg16 residues were identified as the key factors in Atg5 binding.