Synthesis, characterization and biological activity of antimony(III) or bismuth(III) chloride complexes with dithiocarbamate ligands derived from thiuram degradation

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dc.authorid0000-0003-3164-0038
dc.authorid0000-0001-7645-5560
dc.authorid0000-0003-3264-2406
dc.authorid0000-0003-0377-2260
dc.authorid0000-0001-9556-6266
dc.authorid0000-0002-4804-3822
dc.authorid0000-0001-6727-2711
dc.authorscopusid36785856200
dc.authorscopusid46860923200
dc.authorscopusid6507202525
dc.authorscopusid56884173600
dc.authorscopusid6602706096
dc.authorscopusid57209326301
dc.authorscopusid7005646655
dc.authorwosidOzturk, Ibrahim Ismet/K-1352-2013
dc.authorwosidManos, Emmanouil/F-3442-2014
dc.authorwosidGrze?kiewicz, Anita/E-1315-2018
dc.authorwosidKourkoumelis, Nikolaos/B-8555-2009
dc.authorwosidHadjikakou, Sotiris K./I-2909-2019
dc.contributor.authorÖztürk, İbrahim İsmet
dc.contributor.authorBanti, Christina N.
dc.contributor.authorKourkoumelis, Nikolaos
dc.contributor.authorManos, Manolis
dc.contributor.authorTasiopoulos, Anastasios J.
dc.contributor.authorOwczarzak, A. M.
dc.contributor.authorHadjikakou, Sotiris K.
dc.date.accessioned2022-05-11T14:29:57Z
dc.date.available2022-05-11T14:29:57Z
dc.date.issued2014
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractAntimony(III) or bismuth(III) complexes of formulae {[SbCI(Me2DTC)(2)](n)} (I), {[BiCl(Me2DTC)(2)](n)} (2) and {[Bi(Et2DTC)(3)](2)} (3) (Me2DTCH = dimethyldithiocarbamate, C3H7NS2 and Et2DTCH = diethyldithiocarbamate, C-5-H11NS2) were isolated from the reactions between SbCl3 or BiCl3 with tetramethylthiuram monosulfide (Me(4)tms), tetramethylthiuram disulfide (Me(4)tds) or tetraethylthiuram disulfide (Et(4)tds). In the case of 1 two polymorphs were isolated depending on the synthetic procedure followed. Crystal growth from the reaction of antimony(III)-chloride with Me(4)tms in methanol produced la polymorph, while those derived from Me(4)tds in acetonitrile/dichloromethane produced lb form. The complexes 1-3 were characterized by m.p., e.a., FT-IR, FT-Raman, H-1, C-13 NMR spectroscopy and Thermal Gravimetry-Differential Thermal Analysis (TGA-DTA). Moreover, single crystal X-ray diffraction analysis was carried out for 1a, 2b, 2 and 3. X-ray powder diffraction data confirm the existence of one polymorph in the bulk of each sample of 1a and 1b. H-1 NMR spectra in the DMSO-d(6) solutions of 1a and 1b suggest the retention of the structural variations. Complexes 1 and 2 are polymers with distorted square pyramidal (SPY) geometry in each monomeric unit. The known structure of 3 was re-determined to be used for the theoretical and structure activity relationship studies (SAR). Complexes 1-3 were evaluated for their in vitro cytotoxic activity against human breast adenocarcinoma (MCF-7) and human cervix adenocarcinoma (HeLa) cells. Complex 3 is more active against HeLa cells whereas 1a, 1b and 2 against MCF-7. Compound la shows slightly higher activity than lb. Principal components analysis (PCA) was performed to discriminate the significant physicochemical molecular descriptors while regression analysis successfully related the experimental inhibitory concentration, (IC50) to the independent variables indexed by PCA. The calculated IC50 values are satisfactorily compared with the measured inhibitory activity of the complexes. (C) 2013 Elsevier Ltd. All rights reserved.
dc.description.sponsorshipNamik Kemal University Scientific Research Projects FundNamik Kemal University [NKUBAP.00.10.AR.10.1]
dc.description.sponsorshipThe NMR spectra of compounds 1a and 1b were recorded by Dr C.G. Tsiafoulis, who is acknowledged. The NMR Centre of the Network of Research Supporting Laboratories of the University of Ioannina and the Greek Community Support Framework III, Regional Operational Program of Epirus 2000-2006 (MIS 91629), for supporting the purchase of an LC-NMR cryo instrument are also acknowledged. This research was carried out in partial fulfillment of the requirements for the master thesis of Mrs C.N.B. under the supervision of S.K.H. within the graduate program in Bioinorganic Chemistry. The research of 1.1.0 was supported by the Namik Kemal University Scientific Research Projects Fund (Project No. NKUBAP.00.10.AR.10.1).
dc.identifier.doi10.1016/j.poly.2013.08.052
dc.identifier.endpage103
dc.identifier.issn0277-5387
dc.identifier.issn1873-3719
dc.identifier.scopus2-s2.0-84884484276
dc.identifier.scopusqualityQ2
dc.identifier.startpage89
dc.identifier.urihttps://doi.org/10.1016/j.poly.2013.08.052
dc.identifier.urihttps://hdl.handle.net/20.500.11776/7181
dc.identifier.volume67
dc.identifier.wosWOS:000329557200012
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorÖztürk, İbrahim İsmet
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofPolyhedron
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectBioinorganic chemistry
dc.subjectAntimony(III) and bismuth(III) complexes
dc.subjectPolymorphs
dc.subjectStructure activity relationship (SAR)
dc.subjectCytotoxicity
dc.subjectPCA
dc.subjectMolecular docking
dc.subjectHuman Breast-Cancer
dc.subjectIn-Vitro
dc.subjectStructural-Characterization
dc.subjectMolecular-Structure
dc.subjectCrystal-Structures
dc.subjectEstrogen-Receptor
dc.subjectDrug Discovery
dc.subjectEstimate Solubility
dc.subjectOrganotin(Iv)
dc.subjectCombinatorial
dc.titleSynthesis, characterization and biological activity of antimony(III) or bismuth(III) chloride complexes with dithiocarbamate ligands derived from thiuram degradation
dc.typeArticle

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