Inhibition mechanism of hydroxyproline-like small inhibitors to disorder HIF-VHL interaction by molecular dynamic simulations and binding free energy calculations

Protein-protein interactions are vital for a wide range of biological processes. The interactions between the hypoxia-inducible factor and von Hippel Lindau (VHL) are attractive drug targets for ischemic heart disease. In order to disrupt this interaction, the strategy to target VHL binding site usi...

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Veröffentlicht in:	Chinese journal of chemical physics 2021-12, Vol.34 (6), p.814-824
Hauptverfasser:	Shi, Mingsong, Zhou, Xin, Cai, Yao, Li, Penghui, Qin, Dengxue, Yan, Xinrong, Du, Meng, Li, Shuo, Xu, Dingguo
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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