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Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study
Yin H.; Wang R.; Wan J.; Zheng Y.; Ouyang D.; Wang R.
2016-09-01
Source PublicationMolecules
ISSN14203049
Volume21Issue:9
Abstract

The histamine H -receptor antagonists cimetidine, famotidine and nizatidine are individually encapsulated by macrocyclic cucurbit[7]uril (CB[7]), with binding affinities of 6.57 (±0.19) × 10 M , 1.30 (±0.27) × 10 M and 1.0 (±0.33) × 105 M-1 , respectively. These 1:1 host-guest inclusion complexes have been experimentally examined by H-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 H -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
DOI10.3390/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
AffiliationUniversity of Macau
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Yin H.,Wang R.,Wan J.,et al. Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study[J]. Molecules,2016,21(9).
APA Yin H.,Wang R.,Wan J.,Zheng Y.,Ouyang D.,&Wang R..(2016).Molecular encapsulation of histamine H2-Receptor antagonists by cucurbit[7]Uril: An experimental and computational study.Molecules,21(9).
MLA Yin H.,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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