Schiff-base ligands containing phenanthroline terminals: Synthesis, characterization, biological activities and molecular docking study

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dc.authoridSuekinci Yilmaz, Aysen/0000-0002-1928-0204
dc.authoridbagci, ufuk/0000-0002-1511-2465
dc.authorwosidbagci, ufuk/JFA-0267-2023
dc.contributor.authorUlucam, Guherguel
dc.contributor.authorBagci, Ufuk
dc.contributor.authorYilmaz, Aysen Suekinci
dc.contributor.authorYenturk, Busra
dc.date.accessioned2024-06-12T11:12:20Z
dc.date.available2024-06-12T11:12:20Z
dc.date.issued2022
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThree new phenanthroline-derived ligands were synthesized by the Schiff base condensation method. The first ligand was the result of 1,10-phenanthroline-2-carboxyaldehyde reaction with 1,4-diaminobutane (L1). The other ligands were obtained 1,6-diaminohexane (L2) and 1,8-diaminooctane (L3) with the phenanthroline aldehyde in separate reactions. The structures of all ligands were elucidated using spectral techniques such as FT-IR, C-13 NMR, H-1 NMR and LC ESI/MS. The geometric properties of ligands such as bond lengths, bond angles, dihedral angles, electronic properties, HOMO and LUMO energies were calculated by using the Gaussian 09w programme. Ligands were optimized with B3LYP and 6-311++G(2d,p) basis set and NMR and FT-IR spectra were calculated. Experimental and theoretical spectrum data were compared. All of the ligands showed anti-bacterial activity against Staphylococcus aureus ATCC 25923 and Bacillus cereus ATCC 11778. The anticancer activities of the ligands were also determined against human breast cancer (MCF7) and prostate cancer (DU145) cell lines. In addition, which conformation of the ligands was determined by the theoretical calculations. Docking studies of ligands with bovine serum albumin (BSA) were performed using Autock Tools 1.5.6 programme.en_US
dc.description.sponsorshipResearch Fund of Trakya University [T?BAP-2016/22]en_US
dc.description.sponsorshipAcknowledgement This study was supported by the Research Fund of Trakya University with the project T?BAP-2016/22.en_US
dc.identifier.doi10.1016/j.saa.2022.121429
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.pmid35653808en_US
dc.identifier.scopus2-s2.0-85131075161en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.saa.2022.121429
dc.identifier.urihttps://hdl.handle.net/20.500.14551/23129
dc.identifier.volume279en_US
dc.identifier.wosWOS:000828186300004en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherPergamon-Elsevier Science Ltden_US
dc.relation.ispartofSpectrochimica Acta Part A-Molecular And Biomolecular Spectroscopyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPhenanthrolineen_US
dc.subjectSchiff Baseen_US
dc.subjectMTTen_US
dc.subjectDFT/B3LYPen_US
dc.subjectBSAen_US
dc.subjectMolecular Dockingen_US
dc.subjectCopper(Ii) Complexesen_US
dc.subjectCrystal-Structuresen_US
dc.subjectCu(Ii) Complexesen_US
dc.subjectDna-Bindingen_US
dc.subjectIn-Vitroen_US
dc.subject1,10-Phenanthrolineen_US
dc.subjectAciden_US
dc.subjectFluorescenceen_US
dc.subjectDerivativesen_US
dc.subjectNi(Ii)en_US
dc.titleSchiff-base ligands containing phenanthroline terminals: Synthesis, characterization, biological activities and molecular docking studyen_US
dc.typeArticleen_US

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