QSAR studies on antimony(III) halide complexes with N-substituted thiourea derivatives

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dc.authorid0000-0003-3264-2406
dc.authorid0000-0003-3164-0038
dc.authorid0000-0001-9556-6266
dc.authorid0000-0001-6727-2711
dc.authorid0000-0002-4804-3822
dc.authorscopusid36785856200
dc.authorscopusid57192317122
dc.authorscopusid46860923200
dc.authorscopusid6507202525
dc.authorscopusid57192317629
dc.authorscopusid14525091600
dc.authorscopusid6602706096
dc.authorwosidKourkoumelis, Nikolaos/B-8555-2009
dc.authorwosidOzturk, Ibrahim Ismet/K-1352-2013
dc.authorwosidHadjikakou, Sotiris K./I-2909-2019
dc.contributor.authorÖztürk, İbrahim İsmet
dc.contributor.authorYarar, S.
dc.contributor.authorBanti, Christina N.
dc.contributor.authorKourkoumelis, Nikolaos
dc.contributor.authorChrysouli, M. P.
dc.contributor.authorManoli, Maria
dc.contributor.authorHadjikakou, Sotiris K.
dc.date.accessioned2022-05-11T14:30:57Z
dc.date.available2022-05-11T14:30:57Z
dc.date.issued2017
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractThe synthesis, characterization and biological studies of three novel antimony(III) complexes (SbX3, X = Cl and Br) with N-substituted thioureas; N,N-dimethylthiourea (DMTU) and N,N-diethylthiourea (DETU) of formulae [fac-SbCl3(DMTU)(3)] (1), Imer-SbBr3(DMTU)(3)] (2) and b,c,d-ClSbCl3(DETU)(2)] (3) are reported. The compounds were characterized by melting point (m.p.), elemental analysis (e.a.), molar conductivity, FT-IR, FT-Raman, H-1, C-13 NMR, UV-Vis spectroscopic techniques and Thermogravimetric-Differential Thermal Analysis (TG-DTA). The crystal structures of complexes were also determined by X-ray diffraction. Complexes 1 and 2 are monomers with octahedral (Oh) geometry around the metal ion, which is formed by three sulfur and three halide atoms. However the coordination mode of the ligands varied around the metal centers. Thus, 1 possesses the facial isomeric form, while 2 the meridional form. In case of 3 two sulfur atoms from thiourea ligands and three chlorides form a trigonal pyramidal geometry b,c, d-C1-[SbCI3(DETU)(2)] which finally turns to be a polymeric one through-C1 bonds and Oh geometry around each Sb ion. A chloride counter anion neutralizes the whole complex. Complexes 1-3 were evaluated for their in vitro cytotoxic activity against human breast (MCF-7) and cervix (HeLa) adenocarcinoma cells. The toxicity of the complexes was studied against human fetal lung fibroblast cells (MRC5). The apoptotic type of the cells death was confirmed by cell cycle arrest. The influence of 1-3 upon the catalytic peroxidation of linoleic acid to hyperoxolinoleic acid by the enzyme lipoxygenase (LOX) was kinetically studied. QSAR study reveals a linear correlation between experimental and calculated IC50 values. The model predict the activity of Sb complexes successfully, if log(IC50) > 0. (C) 2016 Elsevier Ltd. All rights reserved.
dc.description.sponsorshipNamik Kemal University Scientific Research ProjectNamik Kemal University [NKUBAP.00.10.AR.14.17, NKUBAP.01.GA.16.014]
dc.description.sponsorshipI.I.O.. acknowledges the financial support from Namik Kemal University Scientific Research Project (Project No. NKUBAP.00.10.AR.14.17 and NKUBAP.01.GA.16.014). The Unit of Bioactivity Testing of Xenobiotics, of the University of Ioannina, is acknowledged by CNB and SKH for providing access at the facilities.
dc.identifier.doi10.1016/j.poly.2016.11.008
dc.identifier.endpage161
dc.identifier.issn0277-5387
dc.identifier.scopus2-s2.0-85004066456
dc.identifier.scopusqualityQ2
dc.identifier.startpage152
dc.identifier.urihttps://doi.org/10.1016/j.poly.2016.11.008
dc.identifier.urihttps://hdl.handle.net/20.500.11776/7250
dc.identifier.volume123
dc.identifier.wosWOS:000394063300019
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorÖztürk, İbrahim İsmet
dc.institutionauthorYarar, S.
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.subjectBiological Inorganic Chemistry
dc.subjectAntimony(III) halide
dc.subjectThiourea
dc.subjectCytotoxicity
dc.subjectQSAR
dc.subjectStructural-Characterization
dc.subjectBiological-Activity
dc.subjectCytostatic Properties
dc.subjectCrystal-Structure
dc.subjectCancer Cells
dc.subjectLipoxygenase
dc.subjectApoptosis
dc.subjectN,N-Dicyclohexyldithiooxamide
dc.subjectCytotoxicity
dc.subjectThioamides
dc.titleQSAR studies on antimony(III) halide complexes with N-substituted thiourea derivatives
dc.typeArticle

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