Molecular Insights into the Potential Insecticidal Interaction of β-Dihydroagarofuran Derivatives with the H Subunit of V-ATPase
Abstract
:1. Introduction
2. Results
2.1. Synchronous Fluorescence Spectra Studies and Quenching Mechanism Analysis
2.2. Characterization of the Binding Interaction between JW-3 and the Subunit H of V-ATPase by Isothermal Titration Calorimetry Measurements
2.3. Homology Modeling
2.4. Molecular Docking
3. Discussion
4. Materials and Methods
4.1. Materials
4.2. Expression and Purification of the Subunit H of V-ATPase
4.3. Fluorescence and Synchronous Fluorescence Measurements
4.4. Isothermal Titration Calorimetry (ITC) Experiment
4.5. Data Analysis
4.6. Homology Modeling
4.7. Molecular Docking
5. Conclusions
Supplementary Materials
Acknowledgments
Author Contributions
Conflicts of Interest
Abbreviations
CV | Celangulin V |
V-ATPase | Vacuolar H+ATPase |
TEM | Transmission electron microscopy |
ITC | Isothermal titration calorimetry |
SFS | Synchronous fluorescence spectra |
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Sample Availability: Samples of the compounds CV, JW1–3 are available from the authors. |
pH | Temperature/K | KSV (M−1) | R2 |
---|---|---|---|
288 | 7.295 × 105 | 0.9935 | |
6.8 | 298 | 5.070 × 105 | 0.9799 |
303 | 4.557 × 105 | 0.9662 |
pH | Temperature/K | Ka (M−1) | R2 |
---|---|---|---|
288 | 3.42 × 105 | 0.9974 | |
6.8 | 298 | 2.58 × 105 | 0.9970 |
303 | 1.65 × 105 | 0.9840 |
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Wei, J.; Li, D.; Xi, X.; Liu, L.; Zhao, X.; Wu, W.; Zhang, J. Molecular Insights into the Potential Insecticidal Interaction of β-Dihydroagarofuran Derivatives with the H Subunit of V-ATPase. Molecules 2017, 22, 1701. https://doi.org/10.3390/molecules22101701
Wei J, Li D, Xi X, Liu L, Zhao X, Wu W, Zhang J. Molecular Insights into the Potential Insecticidal Interaction of β-Dihydroagarofuran Derivatives with the H Subunit of V-ATPase. Molecules. 2017; 22(10):1701. https://doi.org/10.3390/molecules22101701
Chicago/Turabian StyleWei, Jielu, Ding Li, Xin Xi, Lulu Liu, Ximei Zhao, Wenjun Wu, and Jiwen Zhang. 2017. "Molecular Insights into the Potential Insecticidal Interaction of β-Dihydroagarofuran Derivatives with the H Subunit of V-ATPase" Molecules 22, no. 10: 1701. https://doi.org/10.3390/molecules22101701