Studies to reveal the nature of interactions between catalase and curcumin using computational methods and optical techniques

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• 作者：Fayezeh Mofidi Najjar^a ; ^b ; Rahim Ghadari^c ; Reza Yousefi^d ; Naser Safari^a ; Vahid Sheikhhasani^b ; Nader Sheibani^e ; Ali Akbar Moosavi-Movahedi^b ; ^f ; ^{moosavi@ut.ac.ir}
• 关键词：Catalase activity ; Main channel ; Curcumin
• 刊名：International Journal of Biological Macromolecules
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：95
• 期：Complete
• 页码：550-556
• 全文大小：2128 K
• 卷排序：95

文摘

Curcumin is an important antioxidant compound, and is widely reported as an effective component for reducing complications of many diseases. However, the detailed mechanisms of its activity remain poorly understood. We found that curcumin can significantly increase catalase activity of BLC (bovine liver catalase). The mechanism of curcumin action was investigated using a computational method. We suggested that curcumin may activate BLC by modifying the bottleneck of its narrow channel. The molecular dynamic simulation data showed that placing curcumin on the structure of enzyme can increase the size of the bottleneck in the narrow channel of BLC, and readily allow the access of substrate to the active site. Because of the increase of the distance between amino acids of the bottleneck in the presence of curcumin, the entrance space of substrate increased from 250 Å3 to 440 Å3.In addition, the increase in emission of intrinsic fluorescence of BLC in presence of curcumin demonstrated changes in tertiary structure of catalase, and possibility of less quenching. We also used circular dichroism (CD) spectropolarimetry to determine how curcumin may alter the enzyme secondary structure. Catalase spectra in the presence of various concentrations of curcumin showed an increase in the amount of α-helix content.