Mesoporous silica and chitosan based pH-sensitive smart nanoparticles for tumor targeted drug delivery |
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Authors: | Pervin Deveci Bilge Taner Safaa Hash?m Mohammed Albayat? |
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Institution: | 1.Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), The Ministry of Education, School of Chemical Science and Technology,Yunnan University,Kunming,People’s Republic of China;2.Advanced Analysis and Measurement Center,Yunnan University,Kunming,People’s Republic of China;3.Department of Biology and Chemistry,Puer College,Puer,People’s Republic of China |
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Abstract: | This study investigated inclusion formation and the physicochemical properties of naringin/cyclodextrin through a combined computational and experimental approach. Molecular dynamics simulations were applied to investigate the thermodynamics and geometry of naringin/cyclodextrin cavity docking. The complexes were investigated by UV, FT-IR, DSC, XRD, SEM, 2D-NOSEY and 1H-NMR analyses. Clearly visible protons belonging to naringin and chemical shift displacements of the H3 and H5 protons in cyclodextrin were anticipated in the formation of an inclusion complex. Naringin solubility increased linearly with increasing cyclodextrin concentration (displaying an AL profile). The simulations indicated that the phenyl group of naringin was located deep within the cyclodextrin cavity, while the glycoside group of naringin was on the plane of the wider rim of cyclodextrin. The simulation and molecular modeling results indicate that (2-hydroxypropyl)-β-cyclodextrin (HP-β-CD) provided the more stable inclusion complex. This result was also in good concordance with the stability constants that had been determined by the phase solubility method. The consistency of the computational and experimental results indicates their reliability. |
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