Premium
The Interaction Mode of Groove Binding Between Quercetin and Calf Thymus DNA Based on Spectrometry and Simulation
Author(s) -
Sha Yijie,
Chen Xu,
Niu Bing,
Chen Qin
Publication year - 2017
Publication title -
chemistry and biodiversity
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.427
H-Index - 70
eISSN - 1612-1880
pISSN - 1612-1872
DOI - 10.1002/cbdv.201700133
Subject(s) - chemistry , binding constant , quercetin , dna , quenching (fluorescence) , fluorescence anisotropy , circular dichroism , fluorescence , docking (animal) , hydrophobic effect , binding site , biophysics , antioxidant , biochemistry , medicine , physics , nursing , quantum mechanics , membrane , biology
Quercetin, a ubiquitous flavanoid, has numerous pharmacological effects, such as antioxidant and antitumor. Previous studies showed nucleic acids were the potential biological targets for antitumor medicine. For exploring the mechanism of DNA ‐target medicine, the interaction between quercetin and calf thymus DNA was studied based on the method of spectrometry and simulation in our study. Firstly, the interaction between quercetin and calf thymus DNA was confirmed by fluorescence spectrometry. Furthermore, circular dichroism, fluorescence polarization, competitive displacement assay, and salt concentration dependence assay were applied to search the interaction mode of quercetin‐calf thymus DNA , which proved the existence of groove binding and electrostatic interaction. Meanwhile, quenching constant K sv , binding constant K a and the number of binding sites n was calculated, inferring that the fluorescence quenching occurred by static quenching process, and the main acting force was hydrogen bond. Finally, molecular docking was used to simulate and analyze the interaction between quercetin and calf thymus DNA .