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Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches
Huang,Tianhe; Zhao,Qianqian; Su,Yan; Ouyang,Defang
2019-11-01
Source PublicationAsian Journal of Pharmaceutical Sciences
ISSN1818-0876
Volume14Issue:6Pages:609-620
AbstractCyclodextrin complexation is a wise strategy to enhance aqueous solubility of water-insoluble drugs. However, the aggregation mechanism of drug-cyclodextrin complexes is still unclear. This research aimed to investigate the molecular aggregation mechanism of glipizide/cyclodextrin complexation by the combination of experimental and modeling methods. Binding free energies between glipizide and cyclodextrins from modeling calculations were higher than those by the phase solubility diagram method. Both experimental and modeling results showed that methylated-β-cyclodextrin exhibited the best solubilizing capability to glipizide. Size-measurement results confirmed the aggregation between glipizide and all four cyclodextrins in high concentrations. Glipizide/γ-cyclodextrin and glipizide/β-cyclodextrin complexes showed stronger aggregation trend than HP-β-cyclodextrin and methylated-β-cyclodextrin. The substituted groups in the rim of HP-β-cyclodextrin and methylated-β-cyclodextrin lead to weak aggregation. This research provided us a clear molecular mechanism of glipizide/cyclodextrin complexation and aggregation. This research will also benefit the formulation development of cyclodextrin solubilization.
KeywordAggregation Cyclodextrin Glipizide Molecular mechanism Molecular modeling
DOI10.1016/j.ajps.2018.10.008
URLView the original
Language英语
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Cited Times [WOS]:3   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
Corresponding AuthorOuyang,Defang
AffiliationState Key Laboratory of Quality Research in Chinese Medicine,Institute of Chinese Medical Sciences (ICMS),University of Macau,Macau,China
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Huang,Tianhe,Zhao,Qianqian,Su,Yan,et al. Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches[J]. Asian Journal of Pharmaceutical Sciences,2019,14(6):609-620.
APA Huang,Tianhe,Zhao,Qianqian,Su,Yan,&Ouyang,Defang.(2019).Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches.Asian Journal of Pharmaceutical Sciences,14(6),609-620.
MLA Huang,Tianhe,et al."Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches".Asian Journal of Pharmaceutical Sciences 14.6(2019):609-620.
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