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Interaction mechanism of flavonoids and Tartary buckwheat bran protein: A fluorescence spectroscopic and 3D-QSAR study

文献类型：期刊论文

作者Yu, Yuandong4; Liang, Guizhao1,4; Wang, Huabin2,3
刊名FOOD RESEARCH INTERNATIONAL
出版日期2022-10-01
卷号160页码:8
ISSN号0963-9969
关键词Tartary buckwheat bran protein Flavonoids Fluorescence spectroscopy Quantitative structure -affinity relationship Quantum chemical calculation
DOI10.1016/j.foodres.2022.111669
通讯作者Liang, Guizhao(gzliang@cqu.edu.cn)
英文摘要Tartary buckwheat bran protein (TBBP) is a valuable by-product of Tartary buckwheat processing. Current studies have indicated that TBBP is a desirable carrier and protector of flavonoids. However, the quantitative structure-affinity relationship of flavonoids with TBBP still remains to be elucidated. Here, by using the fluo-rescence spectroscopy method to measure the binding constants of 16 flavonoids with TBBP, we employ a combination of the atom-based three dimensional-quantitative structure-affinity relationships (3D-QSAR) and quantum-chemical calculation to explore the underlying binding mechanisms. We show that flavonoids can cause the intrinsic fluorescence quenching and form non-covalent complexes with TBBP driven by hydrogen bonding and van der Waal forces. The atom-based 3D-QSAR model reveals that the rutoside group at the C-7 position of flavones is favorable to enhance the binding constants of flavonoids with TBBP. Quantum-chemical calculations consistently disclose that the rutoside group can intensify interaction forces of flavonoids, thereby strengthening the binding. This work provides theoretical evidence that TBBP has the potential application to be raw materials for develop functional food, and be the delivery carriers of flavonoids.
资助项目National Natural Science Foundation of China[32172196] ; National Natural Science Foundation of China[31771975]
WOS研究方向Food Science & Technology
语种英语
出版者ELSEVIER
WOS记录号WOS:000835495400006
源URL[http://119.78.100.138/handle/2HOD01W0/16417]  
专题中国科学院重庆绿色智能技术研究院
通讯作者Liang, Guizhao
作者单位1.Chongqing Univ, Bioengn Coll, Chongqing 400030, Peoples R China
2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Ctr Superresolut Opt, Chongqing 400714, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100190, Peoples R China
4.Chongqing Univ, Bioengn Coll, Key Lab Biorheol Sci & Technol, Minist Educ, Chongqing 400030, Peoples R China
推荐引用方式
GB/T 7714		 Yu, Yuandong,Liang, Guizhao,Wang, Huabin. Interaction mechanism of flavonoids and Tartary buckwheat bran protein: A fluorescence spectroscopic and 3D-QSAR study[J]. FOOD RESEARCH INTERNATIONAL,2022,160:8.
APA Yu, Yuandong,Liang, Guizhao,&Wang, Huabin.(2022).Interaction mechanism of flavonoids and Tartary buckwheat bran protein: A fluorescence spectroscopic and 3D-QSAR study.FOOD RESEARCH INTERNATIONAL,160,8.
MLA Yu, Yuandong,et al."Interaction mechanism of flavonoids and Tartary buckwheat bran protein: A fluorescence spectroscopic and 3D-QSAR study".FOOD RESEARCH INTERNATIONAL 160(2022):8.

入库方式： OAI收割

来源：重庆绿色智能技术研究院

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