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通过光谱和计算研究茶碱和可可碱与 SOD 的相互作用和抗氧化活性。

Study on the interaction and antioxidant activity of theophylline and theobromine with SOD by spectra and calculation.

机构信息

School of Chemistry and Materials Engineering, Fuyang Normal College, Fuyang 236037, China; Engineering Research Center of Biomass Conversion and Pollution Prevention Control of Anhui Provincial Department of Education, Fuyang 236037, China.

School of Chemistry and Materials Engineering, Fuyang Normal College, Fuyang 236037, China; Engineering Research Center of Biomass Conversion and Pollution Prevention Control of Anhui Provincial Department of Education, Fuyang 236037, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2019 May 15;215:354-362. doi: 10.1016/j.saa.2019.03.001. Epub 2019 Mar 3.

DOI:10.1016/j.saa.2019.03.001
PMID:30852283
Abstract

Theophylline (TP) and theobromine (TB) are the methyl derivatives of xanthine. The antioxidation of TP and TB as well as the effect of the antioxidation and activity of copper‑zinc superoxide dismutase (SOD) with TP and TB were investigated. The contents of MDA in cells showed that both TP (14.49 μmol/g) and TB (14.25 μmol/g) are active in oxidation resistance and closed to the antioxidant effect of SOD (13.77 μmol/g). With the formation of TP-SOD and TB-SOD, the antioxidant ability can be superimposed. The interactions between TP/TB and SOD were studied by ultraviolet spectrum, fluorescence spectrum and molecular docking. The results showed that the complex of TP/TB and SOD with 1:1 component was stabilized by hydrogen bonding and van der Waals forces. The analysis also indicated that the microenvironment and structure of SOD were changed. All of the results indicate that the complex formation of TP-SOD and TB-SOD can maintain their respective antioxidant effects without changes in the activity of SOD.

摘要

茶碱(TP)和可可碱(TB)是黄嘌呤的甲基衍生物。本研究考察了 TP 和 TB 的抗氧化作用以及它们的抗氧化作用和铜锌超氧化物歧化酶(SOD)活性的影响。细胞中 MDA 含量的结果表明,TP(14.49 μmol/g)和 TB(14.25 μmol/g)均具有较强的抗氧化活性,接近 SOD(13.77 μmol/g)的抗氧化效果。通过形成 TP-SOD 和 TB-SOD,可以叠加其抗氧化能力。通过紫外光谱、荧光光谱和分子对接研究了 TP/TB 与 SOD 之间的相互作用。结果表明,TP/TB 与 SOD 以 1:1 组成的复合物通过氢键和范德华力稳定。分析还表明,SOD 的微环境和结构发生了变化。所有结果表明,TP-SOD 和 TB-SOD 复合物的形成可以保持各自的抗氧化作用,而不会改变 SOD 的活性。

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