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雷公藤甲素与牛血清白蛋白（BSA）相互作用的光谱学及分子模拟方法研究

STUDIES ON THE INTERACTION BETWEEN TRIPTOLIDE AND BOVINE SERUM ALBUMIN (BSA) BY SPECTROSCOPIC AND MOLECULAR MODELING METHODS.

作者信息

Wang Haidong, Shi Hailang, Pang Jie, Song Xingfa, Xu Caiyun, Sun Zengxian

机构信息

Department of Pharmacy, The First People's Hospital of Lianyungang, Jiangsu, Lianyungang 222002, PR China.

Department of Pharmacy, Yanqi Hospital of Xinjiang Agriculture second Division Xinjiang, Yanqi 841100, PR China.

出版信息

Afr J Tradit Complement Altern Med. 2016 Sep 29;13(6):121-129. doi: 10.21010/ajtcam.v13i6.17. eCollection 2016.

DOI:10.21010/ajtcam.v13i6.17
PMID:28480368
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5412182/
Abstract

BACKGROUND

Triptolide is a major active constituent isolated from Tripterygiumwilfordii Hook F, a Chinese herbal medicine. This study investigated the intermolecular interaction between triptolide and bovine serum albumin (BSA).

MATERIALS AND METHODS

The fluorescence, circular dichroism (CD) and molecular docking methods were used to investigate the intermolecular interaction between triptolide and BSA. The binding constant, the number of binding sites, binding subdomain and the thermodynamic parameters were measured.

RESULTS

The results of this experiment revealed that the intrinsic fluorescence of BSA was effectively quenched by triptolide via static quenching. The experimental results of synchronous fluorescence and CD spectra showed that the conformation of BSA was changed in the presence of triptolide.

CONCLUSION

It indicated that triptolide could spontaneously bind on site II (subdomain IIIA) of BSA mainly via hydrogen bonding interactions and Van der Waals force.

摘要

背景

雷公藤甲素是从中药雷公藤中分离出的一种主要活性成分。本研究调查了雷公藤甲素与牛血清白蛋白（BSA）之间的分子间相互作用。

材料与方法

采用荧光、圆二色性（CD）和分子对接方法研究雷公藤甲素与BSA之间的分子间相互作用。测量了结合常数、结合位点数、结合亚结构域和热力学参数。

结果

本实验结果表明，雷公藤甲素通过静态猝灭有效地猝灭了BSA的固有荧光。同步荧光和CD光谱的实验结果表明，在雷公藤甲素存在下BSA的构象发生了变化。

结论

表明雷公藤甲素主要通过氢键相互作用和范德华力自发结合在BSA的位点II（亚结构域IIIA）上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/599cae42fe89/AJTCAM-13-121-g017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/f0adc5c863a8/AJTCAM-13-121-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/cdaaa37c75e1/AJTCAM-13-121-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/27b2d4511b61/AJTCAM-13-121-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/95aaace4ead7/AJTCAM-13-121-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/ca39d14ef2e1/AJTCAM-13-121-g016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/599cae42fe89/AJTCAM-13-121-g017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/f0adc5c863a8/AJTCAM-13-121-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/cdaaa37c75e1/AJTCAM-13-121-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/27b2d4511b61/AJTCAM-13-121-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/95aaace4ead7/AJTCAM-13-121-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/ca39d14ef2e1/AJTCAM-13-121-g016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2b43/5412182/599cae42fe89/AJTCAM-13-121-g017.jpg

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