Mechanism evaluation of the interactions between flavonoids and bovine serum albumin based on multi-spectroscopy, molecular docking and Q-TOF HR-MS analyses

被引：58

作者：

Fu, Ling ^{[1
,3
]}

Sun, Yiqun ^{[1
,3
]}

Ding, Lina ^{[1
,3
]}

Wang, Yangyang ^{[1
,3
]}

Gao, Zhen ^{[1
,3
]}

Wu, Zhen ^{[1
,3
]}

Wang, Shaomin ^{[2
]}

Li, Wen ^{[1
,3
]}

Bi, Yuefeng ^{[1
,3
]}

机构：

[1] Zhengzhou Univ, Sch Pharmaceut Sci, Ke Xue Da Dao 100, Zhengzhou 450001, Peoples R China

[2] Zhengzhou Univ, Sch Chem & Mol Engn, Ke Xue Da Dao 100, Zhengzhou 450001, Peoples R China

[3] Collaborat Innovat Ctr New Drug Res & Safety Eval, Ke Xue Da Dao 100, Zhengzhou 450001, Henan Province, Peoples R China

来源：

FOOD CHEMISTRY | 2016年 / 203卷

基金：

中国国家自然科学基金;

关键词：

Flavonoids; Bovine serum albumin; Protein binding; Multi-spectroscopy; Molecular docking; Q-TOF HR-MS; STRUCTURE-AFFINITY RELATIONSHIP; BINDING; PROTEIN; ASSOCIATION; GENISTEIN;

D O I：

10.1016/j.foodchem.2016.01.105

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

The mechanism of interactions between a flavonoid glycoside (linarin) and 6 flavonoids with various hydroxyl and methoxyl substituents (luteolin, apigenin, acacetin, tricin, 5,3',4'-trihydroxy-6,7-dimethoxyflavone, and 5,7,4'-trihydroxy-6,3',5'-trimethoxyflavone) and bovine serum albumin (BSA) were investigated by multi-spectroscopy, molecular docking, and quadrupole (Q)-time of flight (TOF) high resolution (HR) mass spectrometry (MS). Fluorescence spectra and molecular docking predicted that each of the flavonoids had only one probable binding site inside the hydrophobic cleft of BSA. The binding constants appeared to correlate positively with the number of hydroxyl groups, and negatively with the number of methoxyl groups. In addition, hydroxyls on ring B bound more easily with BSA than those on ring A. The change in conformation of BSA after binding suggested that the quenching mechanism was static quenching combined with nonradiative energy transfer. The results of Q-TOF HR-MS were consistent with fluorescence quenching and molecular docking. (c) 2016 Elsevier Ltd. All rights reserved.

引用

页码：150 / 157

页数：8

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