{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T01:37:27Z","timestamp":1792805847349,"version":"4.5.0"},"reference-count":32,"publisher":"MDPI AG","issue":"9","license":[{"start":{"date-parts":[[2016,9,6]],"date-time":"2016-09-06T00:00:00Z","timestamp":1473120000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Macau Science and Technology Development Fund","award":["020\/2015\/A1"],"award-info":[{"award-number":["020\/2015\/A1"]}],"id":[{"id":"https:\/\/ror.org\/05vna4324","id-type":"ROR","asserted-by":"crossref"}]},{"name":"SKL-QRCM Operating Fund","award":["Open Fund 003"],"award-info":[{"award-number":["Open Fund 003"]}]},{"DOI":"10.13039\/501100004733","name":"University of Macau","doi-asserted-by":"publisher","award":["SRG2014-00025-QRCM-ICMS"],"award-info":[{"award-number":["SRG2014-00025-QRCM-ICMS"]}],"id":[{"id":"10.13039\/501100004733","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>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 (\u00b10.19) \u00d7 103 M\u22121, 1.30 (\u00b10.27) \u00d7 104 M\u22121 and 1.05 (\u00b10.33) \u00d7 105 M\u22121, 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.<\/jats:p>","DOI":"10.3390\/molecules21091178","type":"journal-article","created":{"date-parts":[[2016,9,6]],"date-time":"2016-09-06T10:10:16Z","timestamp":1473156616000},"page":"1178","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Molecular Encapsulation of Histamine H2-Receptor Antagonists by Cucurbit[7]Uril: An Experimental and Computational Study"],"prefix":"10.3390","volume":"21","author":[{"given":"Hang","family":"Yin","sequence":"first","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Runmiao","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianbo","family":"Wan","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4555-2143","authenticated-orcid":false,"given":"Ying","family":"Zheng","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Defang","family":"Ouyang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9489-4241","authenticated-orcid":false,"given":"Ruibing","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Macau 999078, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2016,9,6]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2823","DOI":"10.1039\/c3cp54895c","article-title":"Cucurbit[7]uril assisted ultraviolet to visible fluorescence switch of a heart medicine","volume":"16","author":"Gavvala","year":"2014","journal-title":"Phys. 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