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›› 2019, Vol. 36 ›› Issue (4): 567-569.DOI: 10.7523/j.issn.2095-6134.2019.04.017

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Adsorption interaction between cytochrome c and fullerene derivatives

ZHANG Yujie, LI Xiaoyi   

  1. College of Materials Science and Opto-electronics Technology, University of Chinese Academy of Sciences, Beijing 100049, China
  • Received:2018-03-30 Revised:2018-05-02 Online:2019-07-15

Abstract: Cytochrome c is an electron-rich protein that widely exists in cell mitochondria. In the interaction process with nanomaterials, it generates free radicals and amplifies the biological toxicity of nanomaterials. In order to understand its interaction with nanomaterials, molecular dynamics simulations are conducted on cytochrome c and fullerene derivative systems including fullerene trimalonate and fullerol. We have studied the interaction energy, the mean radius of gyration, the number of contacting atoms, and the distance from the Fe atom in cytochrome c to the mass center of the fullerene derivative. As a result, mechanism of the interaction between cytochrome c and fullerene derivatives is revealed at the atomic dimension.

Key words: cytochrome c, fullerol, fullerene trimalonate, molecular dynamics simulation

CLC Number: