التفاصيل البيبلوغرافية
| العنوان: |
Spectroscopic, thermodynamic and molecular dynamics simulations of the synthesis of monofluorinated flavonoids and their interactions with bovine serum proteins. (English) |
| المؤلفون: |
AN Chao-Na, YAO Tian, WU Rui, LIU Cun-Fang, LIU Bo, TIAN Guang-Hui |
| المصدر: |
Journal Of Sichuan University (Natural Sciences Division) / Sichuan Daxue Xuebao-Ziran Kexueban; Nov2023, Vol. 60 Issue 6, p1-13, 13p |
| مصطلحات موضوعية: |
BLOOD proteins, MOLECULAR dynamics, SERUM albumin, VAN der Waals forces, FLUORESCENCE spectroscopy, BOS |
| مستخلص: |
In this study, the interactions of six different flavonoids (IVa~c and Va~c) with bovine serum proteins (BSA) were investigated by fluorescence spectroscopy, thermodynamic and molecular dynamics simulations. The fluorescence behaviors of IVa~c and Va~c were quantitatively related to BSA, and the results calculated using the Stern-Volmer equation showed that IVa~c and Va~c had significant fluores-cence quenching with BSA, both of which were static quenching. The binding ability of monofluoroflavone with BSA was best when its fluorine atom was at para position, while the binding ability of monofluoroflavonol with BSA was best when its fluorine atom was at meta position. The binding ability of monofluoroflavonol with BSA was stronger than that of monofluoroflavone when hydroxyl group was attached to the C(3) of monofluoroflavone IVa~c. The calculated thermodynamic parameters of IVa~c and Va~Va were ΔG<0, ΔH<0 and ΔS<0, indicating that the interaction of IVa~c and Va~Vc with BSA was a spontaneous exothermic process, which mainly relies on hydrogen bonding and van der Waals force. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
