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dc.creatorFilipović, Nenad R.
dc.creatorRistić, Predrag
dc.creatorJanjić, Goran
dc.creatorKlisurić, Olivera
dc.creatorPuerta, Adrián
dc.creatorPadrón, José M.
dc.creatorDonnard, Morgan
dc.creatorGulea, Mihaela
dc.creatorTodorović, Tamara R.
dc.date.accessioned2019-12-27T09:43:54Z
dc.date.available2019-12-27T09:43:54Z
dc.date.issued2019
dc.identifier.issn02775387
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3315
dc.description.abstractThe first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions between pyridine ring and –SCN group was performed. Antiproliferative activity of monomeric compound 1 was found to be better than of cisplatin on three out of four studied human cancer cell lines. Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin was revealed as possible carrier for distribution of 1 in the blood stream.en
dc.language.isoensr
dc.publisherEngland : Elseviersr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172057/RS//sr
dc.relationSpanish Government for financial support through project PGC2018-094503-B-C22 (MCIU/AEI/FEDER, UE).sr
dc.rightsrestrictedAccesssr
dc.sourcePolyhedronsr
dc.subjectSilver Organic thiocyanatessr
dc.subjectCoordination polymerssr
dc.subjectAntiproliferative activitysr
dc.subjectDockingsr
dc.subjectprogramsr
dc.subjectdatabasesr
dc.subjectdrugsr
dc.subjectbindingsr
dc.subjectcomplexessr
dc.subjectrecognitionsr
dc.subjectsequencesr
dc.subjectdnasr
dc.subjectcrystal-structuressr
dc.titleSilver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity studyen
dc.typearticlesr
dc.rights.licenseARRsr
dcterms.abstractРистић, Предраг; Тодоровић, Тамара Р.; Гулеа, Михаела; Доннард, Морган; Падрóн, Јосé М.; Пуерта, Aдриáн; Клисурић, Оливера; Јањић, Горан; Филиповић, Ненад Р.;
dc.citation.volume173
dc.citation.spage114132
dc.citation.rankM22
dc.identifier.doi10.1016/j.poly.2019.114132
dc.identifier.scopus2-s2.0-85072584514
dc.identifier.wos000499768700039
dc.type.versionpublishedVersionsr


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