dc.contributor.author | Avci, Davut | |
dc.contributor.author | Alturk, Sumeyye | |
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 | 2020-06-21T12:19:19Z | |
dc.date.available | 2020-06-21T12:19:19Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0022-2860 | |
dc.identifier.issn | 1872-8014 | |
dc.identifier.uri | https://doi.org/10.1016/j.molstruc.2019.07.039 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/10383 | |
dc.description | kurt, belma zengin/0000-0002-4663-5402; Dege, Necmi/0000-0003-0660-4721; ALTURK, SUMEYYE/0000-0002-8177-2365 | en_US |
dc.description | WOS: 000487932000067 | en_US |
dc.description.abstract | Novel Cu(II), Co(II) and Zn(II) metal complexes containing 6-methylpyridine-2-carboxylic acid and 2,2'-dipyridylamine {[Cu(6-mpa)(dipya)(OAc)] center dot 3H(2)O (1), [Co(6-mpa)(dipya)Cl-2]center dot 2H(2)O (2), [Zn(6-mpa)(2)(dipya)] (3)} were synthesized for the first time. Their structural and spectroscopic analyses were performed by XRD, LC-MS/MS, FT-IR and UV-Vis spectroscopic techniques. The DFT/HSEh1PBE/6 -311G(d,p)/LanL2DZ level was also used to obtain optimal molecular geometry, vibrational wave-numbers, electronic spectral behaviors and major contributions to the electronic transitions for the complexes 1-3. Their effects on alpha-glucosidase activity were evaluated. All complexes inhibited alpha-glucosidase with the IC(50 )values ranging from 513.10 to >600 mu M. Finally, in order to display interactions between the synthesized complexes (1-3) and target protein (the template structure S. cerevisiae isomaltase), the molecular docking study was fulfilled. (C) 2019 Elsevier B.V. All rights reserved. | 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 | This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) (Project Number: MFAG -117F235). | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier | en_US |
dc.relation.isversionof | 10.1016/j.molstruc.2019.07.039 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | 2,2 '-dipyridylamine | en_US |
dc.subject | 6-Methylpyridine-2-carboxylic acid | en_US |
dc.subject | Metal ions | en_US |
dc.subject | XRD | en_US |
dc.subject | FT-IR and UV-Vis | en_US |
dc.subject | alpha-Glucosidase | en_US |
dc.subject | Docking | en_US |
dc.subject | DFT//HSEh1PBE | en_US |
dc.title | Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, alpha-glucosidase inhibition, DFT calculations, and molecular docking | en_US |
dc.type | article | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 1197 | en_US |
dc.identifier.startpage | 645 | en_US |
dc.identifier.endpage | 655 | en_US |
dc.relation.journal | Journal of Molecular Structure | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |