| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5419319 | Journal of Molecular Structure: THEOCHEM | 2006 | 4 Pages |
Abstract
Aloe emodin (AE) is a naturally occurring anthraquinone derivative, which exhibits multiple biological activities, including phototoxicity. To gain deeper insights into the phototoxic mechanisms of AE, we investigated the photophysical and photosensitive properties of the compound by means of quantum chemical calculations. The results indicate that AE in triplet excited state can not bring direct photo-oxidative damage to DNA or RNA bases, whereas it can generate reactive oxygen species (ROS, e.g. 1O2, O2â) through energy transfer or electron transfer, which could be responsible for the phototoxicity of AE.
Keywords
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Liang Shen, Hong-Fang Ji, Hong-Yu Zhang,