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Molecular modeling-based inclusion mechanism and stability studies of doxycycline and hydroxypropyl-β-cyclodextrin complex for ophthalmic delivery
Zhang H.; Chen M.; He Z.; Wang Z.; Zhang M.; He Z.; Wan Q.; Liang D.; Repka M.A.; Wu C.
2013
Source PublicationAAPS PharmSciTech
ISSN15309932
Volume14Issue:1Pages:10
AbstractThe aim of the present study was to prepare a stable complex of doxycycline (Doxy) and hydroxypropyl-β-cyclodextrin (HPβCD) for ophthalmic delivery and investigate the inclusion mechanism and the inclusion effects on the stability of Doxy. The Doxy/HPβCD complex was prepared by solution stirring and then characterized by scanning electron microscopy and ultraviolet spectroscopy. Based on results of nuclear magnetic resonance, molecular model of Doxy/HPβCD complex was established using computational simulation of PM3 method implemented in Gaussian 03. Stabilities of Doxy/HPβCD complex in both aqueous solution and solid state at 25 C were evaluated by HPLC. Finally, in vitro antibacterial activity of the Doxy/HPβCD complex was evaluated by disk diffusion test. It was found that the stabilities of Doxy/HPβCD complex in both aqueous solution and solid state were improved obviously as compared with Doxy alone. This stability enhancement is consistent with the inclusion mechanism between HPβCD and Doxy, which showed that the unstable site of Doxy molecule at 6-CH3 was protected in the hydrophobic cavity of HPβCD, additionally, the chelation of Mg2+ provided a synergetic protection of the other unstable site of Doxy at 4-N(CH 3)2. The antibacterial activity results indicated that Doxy/HPβCD complex might have potential for clinical applications. © 2012 American Association of Pharmaceutical Scientists.
Keyworddoxycycline hydroxypropyl-β-cyclodextrin inclusion mechanism molecular modeling stability
DOI10.1208/s12249-012-9877-1
URLView the original
Language英语
The Source to ArticleScopus
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Cited Times [WOS]:11   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Zhang H.,Chen M.,He Z.,et al. Molecular modeling-based inclusion mechanism and stability studies of doxycycline and hydroxypropyl-β-cyclodextrin complex for ophthalmic delivery[J]. AAPS PharmSciTech,2013,14(1):10.
APA Zhang H..,Chen M..,He Z..,Wang Z..,Zhang M..,...&Wu C..(2013).Molecular modeling-based inclusion mechanism and stability studies of doxycycline and hydroxypropyl-β-cyclodextrin complex for ophthalmic delivery.AAPS PharmSciTech,14(1),10.
MLA Zhang H.,et al."Molecular modeling-based inclusion mechanism and stability studies of doxycycline and hydroxypropyl-β-cyclodextrin complex for ophthalmic delivery".AAPS PharmSciTech 14.1(2013):10.
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