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Inclusion complexes of the antitumor metallocenes Cp 2 MCl 2 (M = Mo, Ti) with cucurbit[n]urils

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dc.contributor.authorBuck, Damian
dc.contributor.authorManohari Abeysinghe, p
dc.contributor.authorCullinane, C
dc.contributor.authorDay, Anthony
dc.contributor.authorCollins, J Grant
dc.contributor.authorHarding, Margaret
dc.date.accessioned2015-12-13T22:26:37Z
dc.date.issued2008
dc.date.updated2015-12-11T08:23:16Z
dc.description.abstractThe encapsulation of the aquated forms of molybdocene dichloride and titanocene dichloride by cucurbit[n]uril (Q[n], where n = 7 and 8) at different pD values has been studied by 1H NMR spectroscopy and molecular modelling. 1H NMR titration experiments indicate that both metallocenes form 1:1 host-guest complexes with both Q[7] and Q[8]. In these complexes, both the cyclopentadienyl ligands and metal centre are positioned deep within the cucurbituril cavity. In vitro cell proliferation studies using the cancer cell lines MCF-7 and 2008 showed that the encapsulated molybdocene complex was more active than the corresponding free metallocene, with GI 50 values of 210 and 400 μM respectively. However, unexpectedly the encapsulation of Cp2MoCl2(aq)at pD 7 catalysed significant degradation of the cucurbituril framework in the presence of oxygen. Encapsulation of Cp2TiCl2(aq) by Q[7] greatly slowed the protonolysis of the cyclopentadienyl ligands in aqueous phosphate buffer (pD 7), while encapsulation in Q[8] only slightly retarded the hydrolytic degradation of the metallocene. This journal is
dc.identifier.issn1477-9226
dc.identifier.urihttp://hdl.handle.net/1885/73586
dc.publisherRoyal Society of Chemistry
dc.sourceDalton Transactions
dc.subjectKeywords: Antitumour metallocenes; Molybdocene dichloride; NMR titration; Titanocene dichloride; Complexation; Molecular modeling; Nuclear magnetic resonance spectroscopy; Titration; Olefins; antineoplastic agent; bridged compound; cucurbit(7)uril; cucurbit(8)uril;
dc.titleInclusion complexes of the antitumor metallocenes Cp 2 MCl 2 (M = Mo, Ti) with cucurbit[n]urils
dc.typeJournal article
local.bibliographicCitation.issue17
local.bibliographicCitation.lastpage2334
local.bibliographicCitation.startpage2328
local.contributor.affiliationBuck, Damian P, University of New South Wales, ADFA
local.contributor.affiliationManohari Abeysinghe, p, University of New South Wales
local.contributor.affiliationCullinane, C, Peter MacCallum Cancer Centre
local.contributor.affiliationDay, Anthony, University of New South Wales
local.contributor.affiliationCollins, J Grant, University of New South Wales, ADFA
local.contributor.affiliationHarding, Margaret, Administrative Division, ANU
local.contributor.authoruidHarding, Margaret, u4044881
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030400 - MEDICINAL AND BIOMOLECULAR CHEMISTRY
local.identifier.ariespublicationf5625xPUB3749
local.identifier.citationvolume1
local.identifier.doi10.1039/b718322d
local.identifier.scopusID2-s2.0-42149152138
local.identifier.thomsonID000254999200017
local.type.statusPublished Version

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