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Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study
Hang Yin; Runmiao Wang; Jianbo Wan; Ying Zheng; Defang Ouyang; Ruibing Wang
2016-09-01
Source PublicationMolecules
ISSN1420-3049
Volume21Issue:9
Abstract

The histamine H2-receptor antagonists cimetidine, famotidine and nizatidine are individually encapsulated by macrocyclic cucurbit[7]uril (CB[7]), with binding affinities of 6.57 (±0.19) × 103 M−1, 1.30 (±0.27) × 104 M−1 and 1.05 (±0.33) × 105 M−1, respectively. These 1:1 host-guest inclusion complexes have been experimentally examined by 1H-NMR, UV-visible spectroscopic titrations (including Job plots), electrospray ionization mass spectrometry (ESI-MS), and isothermal titration calorimetry (ITC), as well as theoretically by molecular dynamics (MD) computation. This study may provide important insights on the supramolecular formulation of H2-receptor antagonist drugs for potentially enhanced stability and controlled release based on different binding strengths of these host-guest complexes.

KeywordComplexation Cucurbit[7]Uril H2 -receptor Antagonists Host-guest Interaction Molecular Modelling
DOIhttps://doi.org/10.3390/molecules21091178
URLView the original
Indexed BySCI
Language英语
WOS Research AreaBiochemistry & Molecular Biology ; Chemistry
WOS SubjectBiochemistry & Molecular Biology ; Chemistry, Multidisciplinary
WOS IDWOS:000385479800075
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Cited Times [WOS]:3   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorRuibing Wang
AffiliationState Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Hang Yin,Runmiao Wang,Jianbo Wan,et al. Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study[J]. Molecules,2016,21(9).
APA Hang Yin,Runmiao Wang,Jianbo Wan,Ying Zheng,Defang Ouyang,&Ruibing Wang.(2016).Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study.Molecules,21(9).
MLA Hang Yin,et al."Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study".Molecules 21.9(2016).
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