Manganese(III) Acetate-Based Radical Cyclization Reactions for Pyranocoumarin and Pyranoquinoline Compounds: Synthesis, DFT and Molecular Docking Studies

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dc.authoridKATIRCI, RAMAZAN/0000-0003-2448-011X
dc.authoridBicer, Emre/0000-0002-9871-4102
dc.authoridyilmaz, mehmet/0000-0001-7179-4045
dc.contributor.authorYakut, Mehtap
dc.contributor.authorYilmaz, Mehmet
dc.contributor.authorPekel, Tarik
dc.contributor.authorErkan, Sultan
dc.contributor.authorKatirci, Ramazan
dc.contributor.authorBicer, Emre
dc.date.accessioned2024-10-26T18:09:43Z
dc.date.available2024-10-26T18:09:43Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractPyranofuroquinoline and pyranofurocoumarin derivatives are significant class of compounds due to being useful in many diverse applications. The synthesis of the compounds are succeeded in one step by radical cyclization reaction in the presence of manganese(III) acetate. Furoquinoline and furocoumarin reactants were used together with 1,1-disubstituted-, 1,2-disubstituted and cyclic alkenes giving pyranofuroquinoline and pyranofurocoumarin compounds in moderate to high yields. Also, we were able to isolate alkenyl and acetoxy- side-products in minor low yields. The electronic and optical features of furoquinoline and furocoumarin reactants and pyranofuroquinoline products were inquired using theoretical approaches (DFT and TD-DFT). Their excitation and emission spectrums were computed. The results revealed that the pyranofuroquinoline molecules did not show the energy transfer feature. It was observed that the behavior of nonlinear optic of furoquinoline is higher than the pyranofuroquinoline and furocoumarin molecules. But the average polarization and the anisotropy of the polarizability of pyranofuroquinoline increased and was found to be 262.7 and 141.9 respectively. Also, according to the calculated docking parameters, the investigated pyranofuroquinoline and pyranofurocoumarin compounds were found to have higher activity than the substances with anticancer and antibacterial standards.
dc.description.sponsorshipScientific and Technological Research Council of Turkey (TUBITAK) [TBAGHD/76 105T123, TBAG-2380, 103T124]
dc.description.sponsorshipThis study was funded by Scientific and Technological Research Council of Turkey (TUBITAK) Grant No. TBAGHD/76 105T123, TBAG-2380 and 103T124. The authors acknowledge Prof. Dr. Hakan Goeker for spectroscopic contributions. The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) and some computing resources were provided by the National Center for High Performance Computing of Turkey (UHeM). The author E. B. also acknowledges his family members during the studies for their endless support and encouragement.
dc.identifier.doi10.1002/slct.202202787
dc.identifier.issn2365-6549
dc.identifier.issue44
dc.identifier.scopus2-s2.0-85142652402
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1002/slct.202202787
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30253
dc.identifier.volume7
dc.identifier.wosWOS:000889969900001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistryselect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectCyclization
dc.subjectManganese(III)
dc.subjectPyranocoumarin
dc.subjectPyranoquinoline
dc.subjectRadical
dc.titleManganese(III) Acetate-Based Radical Cyclization Reactions for Pyranocoumarin and Pyranoquinoline Compounds: Synthesis, DFT and Molecular Docking Studies
dc.typeArticle

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