dc.contributor.author | Avci, Davut | |
dc.contributor.author | Alturk, Suemeyye | |
dc.contributor.author | Sonmez, Fatih | |
dc.contributor.author | Tamer, Omer | |
dc.contributor.author | Basoglu, Adil | |
dc.contributor.author | Atalay, Yusuf | |
dc.contributor.author | Dege, Necmi | |
dc.date.accessioned | 2020-06-21T12:26:30Z | |
dc.date.available | 2020-06-21T12:26:30Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0268-2605 | |
dc.identifier.issn | 1099-0739 | |
dc.identifier.uri | https://doi.org/10.1002/aoc.4935 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/10756 | |
dc.description | ALTURK, SUMEYYE/0000-0002-8177-2365; Dege, Necmi/0000-0003-0660-4721; kurt, belma zengin/0000-0002-4663-5402 | en_US |
dc.description | WOS: 000475943500031 | en_US |
dc.description.abstract | Novel complexes of 6-methylpyridine-2-carboxylic acid and 4(5)methylimidazole, namely [Mn(6-mpa)(2)(4(5)MeI)(2)] (1), [Zn(6-mpa)(2)(4(5)MeI)(2)] (2), [Cd(6-mpa)(2)(4(5)MeI)(2)] (3), [Co(6-mpa)(2)(4(5)MeI)(2)] (4), [Ni(6-mpa)(2)(4(5)MeI)(OAc)] (5) and [Cu(6-mpa)(2)(4(5)MeI)] (6), were synthesized for the first time. The structures of complexes 1-4 and complexes 5 and 6 were determined using X-ray diffraction and mass spectrometric techniques, respectively. The experimental spectral analyses for these complexes were performed using Fourier transform infrared and UV-visible techniques. The alpha-glucosidase inhibition activity values (IC50) of complexes 1-6 were identified in view of genistein reference compound. Moreover, the DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level was used to obtain optimal molecular geometry and vibrational wavenumbers for complexes 1-6. Electronic spectral behaviours and major contributions to the electronic transitions were investigated using TD-DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level with conductor-like polarizable continuum model and SWizard program. Finally, in order to investigate interactions between the synthesized complexes (1-6) and target protein (template structure S. cerevisiae isomaltase), a molecular docking study was carried out. | en_US |
dc.description.sponsorship | Scientific and Technological Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [MFAG -117F235] | en_US |
dc.description.sponsorship | Scientific and Technological Research Council of Turkey (TUBITAK), Grant/Award Number: MFAG -117F235 | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Wiley | en_US |
dc.relation.isversionof | 10.1002/aoc.4935 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | 4(5)methylimidazole and 6-methylpyridine-2-carboxylic acid | en_US |
dc.subject | DFT | en_US |
dc.subject | HSEh1PBE | en_US |
dc.subject | docking | en_US |
dc.subject | XRD | en_US |
dc.subject | FT-IR and UV-visible | en_US |
dc.subject | alpha-glucosidase | en_US |
dc.title | A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking | en_US |
dc.type | article | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 33 | en_US |
dc.identifier.issue | 7 | en_US |
dc.relation.journal | Applied Organometallic Chemistry | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |