Theoretical Study of the Radical Scavenging Activity of Shikonin and Its Derivatives

@inproceedings{Jin2012TheoreticalSO,
  title={Theoretical Study of the Radical Scavenging Activity of Shikonin and Its Derivatives},
  author={Ruifa Jin and Jie Li},
  year={2012}
}
Aim of study is to get a further insight on the contribution of the structural features to the radical scavenging potential of shikonin and its ester derivatives. The radical scavenging activity of shikonin and its ester derivatives have been studied by using density functional theory. The hydrogen bond property of the studied structures has been investigated by using the Atoms in Molecules (AIM) theory. The calculated results reveal that the hydrogen bond is important for good scavenging… CONTINUE READING

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