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dc.creatorCvetković, J.P.
dc.creatorBožić, Bojan
dc.creatorBanjac, Nebojša R.
dc.creatorPetrović, J.
dc.creatorSoković, Marina
dc.creatorVitnik, Vesna
dc.creatorVitnik, Željko
dc.creatorUšćumlić, Gordana
dc.creatorValentić, Nataša V.
dc.date.accessioned2019-01-30T18:01:45Z
dc.date.available2019-01-30T18:01:45Z
dc.date.issued2019
dc.identifier.issn0022-2860
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2494
dc.description.abstractIn the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, 1H NMR, 13C NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).en
dc.publisherElsevier B.V.
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173052/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/31006/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173032/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Molecular Structure
dc.subjectAntifungal activityen
dc.subjectAntimicrobial activityen
dc.subjectDFT calculationen
dc.subjectStructure-activity relationshipen
dc.subjectSuccinimideen
dc.titleSynthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivativesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractУшћумлић, Г.С.; Бањац, Н.Р.; Витник, Жељко; Валентић, Н.В.; Цветковић, Ј.П.; Витник, Весна; Соковић, М.; Божић, Б.; Петровић, Ј.;
dc.citation.volume1181
dc.citation.spage148
dc.citation.epage156
dc.citation.other1181: 148-156
dc.citation.rankM22
dc.identifier.doi10.1016/j.molstruc.2018.12.083
dc.identifier.rcubConv_4496
dc.identifier.scopus2-s2.0-85059576086
dc.identifier.wos000458612300016
dc.type.versionpublishedVersion


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